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

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[4-(2-pyridyl)piperazino]methanone Formula: C22H27ClN4O3S MolecularWeight: 462.99278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O3S/c23-19-9-8-18(17-20(19)31(29,30)27-11-5-1-2-6-12-27)22(28)26-15-13-25(14-16-26)21-7-3-4-10-24-21/h3-4,7-10,17H,1-2,5-6,11-16H2