4-(2,5-dimethylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-propyl-indole

Systemtic Name: 4-(2,5-dimethylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-propyl-indole Openeye Name: 4-(2,5-dimethylpiperazin-1-yl)-2-propyl-1-(p-tolylsulfonyl)indole CAS Name: 4-(2,5-dimethyl-1-piperazinyl)-1-(4-methylphenyl)sulfonyl-2-propylindole IUPAC Name: 4-(2,5-dimethylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-propylindole Traditional Name: 4-(2,5-dimethylpiperazino)-2-propyl-1-tosyl-indole Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(N1S(=O)(=O)C3=CC=C(C=C3)C)C=CC=C2N4CC(NCC4C)C

Isomeric SMILES

CCCC1=CC2=C(N1S(=O)(=O)C3=CC=C(C=C3)C)C=CC=C2N4CC(NCC4C)C

InChI

InChI=1S/C24H31N3O2S/c1-5-7-20-14-22-23(26-16-18(3)25-15-19(26)4)8-6-9-24(22)27(20)30(28,29)21-12-10-17(2)11-13-21/h6,8-14,18-19,25H,5,7,15-16H2,1-4H3