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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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