2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID (CHEBI:40394)

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CHEBI:40394 - 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID

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ChEBI ID	CHEBI:40394
ChEBI Name	2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
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Last Modified	16 May 2008
Downloads	Molfile

Formula	C22H25FN2O4S
Net Charge	0
Average Mass	432.517
Monoisotopic Mass	432.15191
SMILES	[H]OC(=O)c1c(N([H])S(=O)(=O)c2c([H])c([H])c(F)c([H])c2/C([H])=C(/[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])c([H])c([H])c2c1C([H])([H])C([H])([H])C([H])([H])C2([H])[H]
InChI	InChI=1S/C22H25FN2O4S/c1-25(2)13-5-7-16-14-17(23)10-12-20(16)30(28,29)24-19-11-9-15-6-3-4-8-18(15)21(19)22(26)27/h5,7,9-12,14,24H,3-4,6,8,13H2,1-2H3,(H,26,27)/b7-5-
InChIKey	CTZLIARLNXSXGL-ALCCZGGFSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID (CHEBI:40394) is a unclassifieds (CHEBI:27189)

Synonyms	Source
2-[({2-[(1Z)-3-(dimethylamino)prop-1-en-1-yl]-4-fluorophenyl}sulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid	PDBeChem
2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID	PDBeChem

Manual Xrefs	Databases
A84	PDBeChem