[2-(2-chlorophenyl)quinolin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: [2-(2-chlorophenyl)quinolin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: [2-(2-chlorophenyl)-4-quinolyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: [2-(2-chlorophenyl)-4-quinolinyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: [2-(2-chlorophenyl)quinolin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: [2-(2-chlorophenyl)-4-quinolyl]-(4-mesyl-1,4-diazepan-1-yl)methanone Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H22ClN3O3S/c1-30(28,29)26-12-6-11-25(13-14-26)22(27)18-15-21(17-8-2-4-9-19(17)23)24-20-10-5-3-7-16(18)20/h2-5,7-10,15H,6,11-14H2,1H3