3-(1H-indol-3-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(1H-indol-3-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1H-indol-3-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(1H-indol-3-yl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(1H-indol-3-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(1H-indol-3-yl)-1-(4-tosylpiperazino)propan-1-one Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O3S/c1-17-6-9-19(10-7-17)29(27,28)25-14-12-24(13-15-25)22(26)11-8-18-16-23-21-5-3-2-4-20(18)21/h2-7,9-10,16,23H,8,11-15H2,1H3