(2E)-1-(4-methylphenyl)sulfonyl-3-(4-methylpiperazin-1-yl)-2-(2-phenoxyethylidene)-3H-indole

Systemtic Name: (2E)-1-(4-methylphenyl)sulfonyl-3-(4-methylpiperazin-1-yl)-2-(2-phenoxyethylidene)-3H-indole Openeye Name: (2E)-3-(4-methylpiperazin-1-yl)-2-(2-phenoxyethylidene)-1-(p-tolylsulfonyl)indoline CAS Name: (2E)-1-(4-methylphenyl)sulfonyl-3-(4-methyl-1-piperazinyl)-2-(2-phenoxyethylidene)-3H-indole IUPAC Name: (2E)-1-(4-methylphenyl)sulfonyl-3-(4-methylpiperazin-1-yl)-2-(2-phenoxyethylidene)-3H-indole Traditional Name: (2E)-3-(4-methylpiperazino)-2-(2-phenoxyethylidene)-1-tosyl-indoline Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(C2=CCOC4=CC=CC=C4)N5CCN(CC5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N\2C3=CC=CC=C3C(/C2=C\COC4=CC=CC=C4)N5CCN(CC5)C

InChI

InChI=1S/C28H31N3O3S/c1-22-12-14-24(15-13-22)35(32,33)31-26-11-7-6-10-25(26)28(30-19-17-29(2)18-20-30)27(31)16-21-34-23-8-4-3-5-9-23/h3-16,28H,17-21H2,1-2H3/b27-16+