[4-(3-chlorophenyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone

Systemtic Name: [4-(3-chlorophenyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone Openeye Name: [4-(3-chlorophenyl)piperazin-1-yl]-[4-(1-piperidylsulfonyl)-1H-pyrrol-2-yl]methanone CAS Name: [4-(3-chlorophenyl)-1-piperazinyl]-[4-(1-piperidinylsulfonyl)-1H-pyrrol-2-yl]methanone IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone Traditional Name: [4-(3-chlorophenyl)piperazino]-(4-piperidinosulfonyl-1H-pyrrol-2-yl)methanone Formula: C20H25ClN4O3S MolecularWeight: 436.9555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CNC(=C2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CNC(=C2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H25ClN4O3S/c21-16-5-4-6-17(13-16)23-9-11-24(12-10-23)20(26)19-14-18(15-22-19)29(27,28)25-7-2-1-3-8-25/h4-6,13-15,22H,1-3,7-12H2