2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-(1H-indol-3-yl)ethanone IUPAC Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-1-(1H-indol-3-yl)ethanone 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)CC(=O)C3=CNC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)C3=CNC4=CC=CC=C43)C

InChI

InChI=1S/C22H25N3O3S/c1-16-7-8-22(17(2)13-16)29(27,28)25-11-9-24(10-12-25)15-21(26)19-14-23-20-6-4-3-5-18(19)20/h3-8,13-14,23H,9-12,15H2,1-2H3