[4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-methyl-2-pyrrolyl]-[4-(4-chlorophenyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)-1-methylpyrrol-2-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)-1-methyl-pyrrol-2-yl]-[4-(4-chlorophenyl)piperazino]methanone Formula: C22H29ClN4O3S MolecularWeight: 465.00866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H29ClN4O3S/c1-24-17-20(31(29,30)27-10-4-2-3-5-11-27)16-21(24)22(28)26-14-12-25(13-15-26)19-8-6-18(23)7-9-19/h6-9,16-17H,2-5,10-15H2,1H3