N-[[(4R,5R)-8-(3-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide (CHEBI:106199)

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CHEBI:106199 - N-[[(4R,5R)-8-(3-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

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ChEBI ID	CHEBI:106199
ChEBI Name	N-[[(4R,5R)-8-(3-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
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Downloads	Molfile

Formula	C28H33FN2O7S2
Net Charge	0
Average Mass	592.711
Monoisotopic Mass	592.17132
SMILES	COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3cc(-c4cccc(F)c4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@H]2C)cc1
InChI	InChI=1S/C28H33FN2O7S2/c1-19-16-31(20(2)18-32)40(35,36)28-13-8-22(21-6-5-7-23(29)14-21)15-26(28)38-27(19)17-30(3)39(33,34)25-11-9-24(37-4)10-12-25/h5-15,19-20,27,32H,16-18H2,1-4H3/t19-,20+,27+/m1/s1
InChIKey	OLBRUKVYTCLQEJ-JVAFGIKQSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4R,5R)-8-(3-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide (CHEBI:106199) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-17560	LINCS