2-[(2-azanyl-3-cyano-7a-methyl-5-oxidanylidene-1-phenyl-6,7-dihydroindol-7-yl)sulfanyl]ethanesulfonic acid

Systemtic Name: 2-[(2-azanyl-3-cyano-7a-methyl-5-oxidanylidene-1-phenyl-6,7-dihydroindol-7-yl)sulfanyl]ethanesulfonic acid Openeye Name: 2-[(2-amino-3-cyano-7a-methyl-5-oxo-1-phenyl-6,7-dihydroindol-7-yl)sulfanyl]ethanesulfonic acid CAS Name: 2-[(2-amino-3-cyano-7a-methyl-5-oxo-1-phenyl-6,7-dihydroindol-7-yl)thio]ethanesulfonic acid IUPAC Name: 2-[(2-amino-3-cyano-7a-methyl-5-oxo-1-phenyl-6,7-dihydroindol-7-yl)sulfanyl]ethanesulfonic acid Traditional Name: 2-[(2-amino-3-cyano-5-keto-7a-methyl-1-phenyl-6,7-dihydroindol-7-yl)thio]ethanesulfonic acid Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(CC(=O)C=C1C(=C(N2C3=CC=CC=C3)N)C#N)SCCS(=O)(=O)O

Isomeric SMILES

CC12C(CC(=O)C=C1C(=C(N2C3=CC=CC=C3)N)C#N)SCCS(=O)(=O)O

InChI

InChI=1S/C18H19N3O4S2/c1-18-15(9-13(22)10-16(18)26-7-8-27(23,24)25)14(11-19)17(20)21(18)12-5-3-2-4-6-12/h2-6,9,16H,7-8,10,20H2,1H3,(H,23,24,25)