2-(2-methyl-1-oxidanylidene-7-sulfo-4,5-dihydro-3H-azepino[3,4-b]indol-10-yl)ethanoic acid

Systemtic Name: 2-(2-methyl-1-oxidanylidene-7-sulfo-4,5-dihydro-3H-azepino[3,4-b]indol-10-yl)ethanoic acid Openeye Name: 2-(2-methyl-1-oxo-7-sulfo-4,5-dihydro-3H-azepino[3,4-b]indol-10-yl)acetic acid CAS Name: 2-(2-methyl-1-oxo-7-sulfo-4,5-dihydro-3H-azepino[3,4-b]indol-10-yl)acetic acid IUPAC Name: 2-(2-methyl-1-oxo-7-sulfo-4,5-dihydro-3H-azepino[3,4-b]indol-10-yl)acetic acid Traditional Name: 2-(1-keto-2-methyl-7-sulfo-4,5-dihydro-3H-azepin[3,4-b]indol-10-yl)acetic acid Formula: C15H16N2O6S MolecularWeight: 352.36234

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)CC(=O)O

Isomeric SMILES

CN1CCCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)CC(=O)O

InChI

InChI=1S/C15H16N2O6S/c1-16-6-2-3-10-11-7-9(24(21,22)23)4-5-12(11)17(8-13(18)19)14(10)15(16)20/h4-5,7H,2-3,6,8H2,1H3,(H,18,19)(H,21,22,23)