3-[[4-[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]piperidino]methyl]benzonitrile Formula: C24H29ClN4O2S MolecularWeight: 473.03066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2Cl)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2Cl)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H29ClN4O2S/c25-23-7-1-2-8-24(23)32(30,31)29-12-4-11-28(15-16-29)22-9-13-27(14-10-22)19-21-6-3-5-20(17-21)18-26/h1-3,5-8,17,22H,4,9-16,19H2