2-[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-(4H-quinolin-1-yl)ethanone

Systemtic Name: 2-[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-(4H-quinolin-1-yl)ethanone Openeye Name: 2-[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-(4H-quinolin-1-yl)ethanone CAS Name: 2-[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-(4H-quinolin-1-yl)ethanone IUPAC Name: 2-[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-(4H-quinolin-1-yl)ethanone Traditional Name: 2-[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-(4H-quinolin-1-yl)ethanone Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2Cl)CC(=O)N3C=CCC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2Cl)CC(=O)N3C=CCC4=CC=CC=C43

InChI

InChI=1S/C22H24ClN3O3S/c23-19-9-2-4-11-21(19)30(28,29)25-13-6-12-24(15-16-25)17-22(27)26-14-5-8-18-7-1-3-10-20(18)26/h1-5,7,9-11,14H,6,8,12-13,15-17H2