[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)methanone

Systemtic Name: [4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)methanone Openeye Name: [4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)methanone CAS Name: [4-(3-chlorophenyl)sulfonyl-1-piperazinyl]-[4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenyl]methanone IUPAC Name: [4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)methanone Traditional Name: [4-(3-chlorophenyl)sulfonylpiperazino]-(4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)methanone Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl)N4C=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl)N4C=CC=C4)C

InChI

InChI=1S/C21H22ClN3O3S2/c1-15-16(2)29-21(24-8-3-4-9-24)19(15)20(26)23-10-12-25(13-11-23)30(27,28)18-7-5-6-17(22)14-18/h3-9,14H,10-13H2,1-2H3