1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-4-(1H-indol-3-yl)-1-butanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-4-(1H-indol-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)C)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43

InChI

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