[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone Openeye Name: [4-(p-tolylsulfonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1-piperazinyl]-[3-(1-pyrrolyl)phenyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone Traditional Name: (3-pyrrol-1-ylphenyl)-(4-tosylpiperazino)methanone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-18-7-9-21(10-8-18)29(27,28)25-15-13-24(14-16-25)22(26)19-5-4-6-20(17-19)23-11-2-3-12-23/h2-12,17H,13-16H2,1H3