3-[[4-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)piperidin-1-yl]methyl]benzenecarbonitrile hydrochloride

Systemtic Name: 3-[[4-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)piperidin-1-yl]methyl]benzenecarbonitrile hydrochloride Openeye Name: 3-[[4-[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]-1-piperidyl]methyl]benzonitrile hydrochloride CAS Name: 3-[[4-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)-1-piperidinyl]methyl]benzonitrile hydrochloride IUPAC Name: 3-[[4-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)piperidin-1-yl]methyl]benzonitrile hydrochloride Traditional Name: 3-[[4-[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]piperidino]methyl]benzonitrile hydrochloride Formula: C22H29ClN4O2S2 MolecularWeight: 481.07426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CS2)C3CCN(CC3)CC4=CC=CC(=C4)C#N.Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CS2)C3CCN(CC3)CC4=CC=CC(=C4)C#N.Cl

InChI

InChI=1S/C22H28N4O2S2.ClH/c23-17-19-4-1-5-20(16-19)18-24-11-7-21(8-12-24)25-9-3-10-26(14-13-25)30(27,28)22-6-2-15-29-22;/h1-2,4-6,15-16,21H,3,7-14,18H2;1H