4-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylpiperazin-1-yl)butan-1-one Openeye Name: 1-(4-methylpiperazin-1-yl)-4-[1-(p-tolylsulfonyl)indol-3-yl]butan-1-one CAS Name: 4-[1-(4-methylphenyl)sulfonyl-3-indolyl]-1-(4-methyl-1-piperazinyl)-1-butanone IUPAC Name: 4-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylpiperazin-1-yl)butan-1-one Traditional Name: 1-(4-methylpiperazino)-4-(1-tosylindol-3-yl)butan-1-one Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCCC(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCCC(=O)N4CCN(CC4)C

InChI

InChI=1S/C24H29N3O3S/c1-19-10-12-21(13-11-19)31(29,30)27-18-20(22-7-3-4-8-23(22)27)6-5-9-24(28)26-16-14-25(2)15-17-26/h3-4,7-8,10-13,18H,5-6,9,14-17H2,1-2H3