1H-Indole-3-acetic acid, 5-[[(methylamino)sulfonyl]methyl]- (CHEBI:189784)

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CHEBI:189784 - 1H-Indole-3-acetic acid, 5-[[(methylamino)sulfonyl]methyl]-

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ChEBI ID	CHEBI:189784
ChEBI Name	1H-Indole-3-acetic acid, 5-[[(methylamino)sulfonyl]methyl]-
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H14N2O4S
Net Charge	0
Average Mass	282.321
Monoisotopic Mass	282.06743
SMILES	CNS(=O)(=O)Cc1ccc2ncc(CC(=O)O)c2c1
InChI	InChI=1S/C12H14N2O4S/c1-13-19(17,18)7-8-2-3-11-10(4-8)9(6-14-11)5-12(15)16/h2-4,6,13-14H,5,7H2,1H3,(H,15,16)
InChIKey	HFYQCRQPYYPRAT-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Sarcophaga peregrina (ncbitaxon:7386)	Whole Organism (NCIT:C13413)	MetaboLights (MTBLS4102)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	1H-Indole-3-acetic acid, 5-[[(methylamino)sulfonyl]methyl]- (CHEBI:189784) is a indole-3-acetic acids (CHEBI:24803)

IUPAC Name
2-[5-(methylsulamoylmethyl)-1H-indol-3-yl]acetic acid

Manual Xrefs	Databases
9953208	ChemSpider

Registry Numbers	Sources
CAS:103628-44-0	ChemIDplus