[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(4-pyridin-2-ylcarbonylpiperazin-1-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(4-pyridin-2-ylcarbonylpiperazin-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-[4-[oxo(2-pyridinyl)methyl]-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(4-picolinoylpiperazino)methanone Formula: C23H27ClN4O4S MolecularWeight: 491.00288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=N4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=N4)Cl

InChI

InChI=1S/C23H27ClN4O4S/c24-19-9-8-18(17-21(19)33(31,32)28-11-5-1-2-6-12-28)22(29)26-13-15-27(16-14-26)23(30)20-7-3-4-10-25-20/h3-4,7-10,17H,1-2,5-6,11-16H2