[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-(2-methyl-5-sulfamoyl-indolin-1-yl)-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-keto-2-(2-methyl-5-sulfamoyl-indolin-1-yl)ethyl] ester Formula: C22H24N2O5S3 MolecularWeight: 492.63136

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1C(=O)COC(=O)C3=CC=C(C=C3)C4SCCCS4)C=CC(=C2)S(=O)(=O)N

Isomeric SMILES

CC1CC2=C(N1C(=O)COC(=O)C3=CC=C(C=C3)C4SCCCS4)C=CC(=C2)S(=O)(=O)N

InChI

InChI=1S/C22H24N2O5S3/c1-14-11-17-12-18(32(23,27)28)7-8-19(17)24(14)20(25)13-29-21(26)15-3-5-16(6-4-15)22-30-9-2-10-31-22/h3-8,12,14,22H,2,9-11,13H2,1H3,(H2,23,27,28)