2-[[2-azanyl-1-(4-chlorophenyl)-3-cyano-7a-methyl-5-oxidanylidene-6,7-dihydroindol-7-yl]sulfanyl]ethanesulfonic acid

Systemtic Name: 2-[[2-azanyl-1-(4-chlorophenyl)-3-cyano-7a-methyl-5-oxidanylidene-6,7-dihydroindol-7-yl]sulfanyl]ethanesulfonic acid Openeye Name: 2-[[2-amino-1-(4-chlorophenyl)-3-cyano-7a-methyl-5-oxo-6,7-dihydroindol-7-yl]sulfanyl]ethanesulfonic acid CAS Name: 2-[[2-amino-1-(4-chlorophenyl)-3-cyano-7a-methyl-5-oxo-6,7-dihydroindol-7-yl]thio]ethanesulfonic acid IUPAC Name: 2-[[2-amino-1-(4-chlorophenyl)-3-cyano-7a-methyl-5-oxo-6,7-dihydroindol-7-yl]sulfanyl]ethanesulfonic acid Traditional Name: 2-[[2-amino-1-(4-chlorophenyl)-3-cyano-5-keto-7a-methyl-6,7-dihydroindol-7-yl]thio]ethanesulfonic acid Formula: C18H18ClN3O4S2 MolecularWeight: 439.93622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O4S2/c1-18-15(8-13(23)9-16(18)27-6-7-28(24,25)26)14(10-20)17(21)22(18)12-4-2-11(19)3-5-12/h2-5,8,16H,6-7,9,21H2,1H3,(H,24,25,26)