1-[5-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-(m-tolylsulfonyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[[4-(3-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-(3-methylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[4-(m-tolylsulfonyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CN3)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CN3)C(=O)C

InChI

InChI=1S/C18H21N3O4S/c1-13-4-3-5-16(10-13)26(24,25)21-8-6-20(7-9-21)18(23)17-11-15(12-19-17)14(2)22/h3-5,10-12,19H,6-9H2,1-2H3