1-(4-methylphenyl)sulfonyl-3-(4-methylpiperazin-4-ium-1-yl)-2-(2-phenoxyethylidene)indol-3-ide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-(4-methylpiperazin-4-ium-1-yl)-2-(2-phenoxyethylidene)indol-3-ide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)-2-(2-phenoxyethylidene)-1-(p-tolylsulfonyl)indolin-3-ide CAS Name: 1-(4-methylphenyl)sulfonyl-3-(4-methyl-1-piperazin-4-iumyl)-2-(2-phenoxyethylidene)indol-3-ide IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-(4-methylpiperazin-4-ium-1-yl)-2-(2-phenoxyethylidene)indol-3-ide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)-2-(2-phenoxyethylidene)-1-tosyl-indolin-3-ide 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=C3[C-](C2=CCOC4=CC=CC=C4)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3[C-](C2=CCOC4=CC=CC=C4)N5CC[NH+](CC5)C

InChI

InChI=1S/C28H30N3O3S/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/h3-16H,17-21H2,1-2H3/q-1/p+1