3-[[4-[4-(3-methylsulfonylphenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile hydrochloride

Systemtic Name: 3-[[4-[4-(3-methylsulfonylphenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile hydrochloride Openeye Name: 3-[[4-[4-(3-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-1-piperidyl]methyl]benzonitrile hydrochloride CAS Name: 3-[[4-[4-(3-methylsulfonylphenyl)sulfonyl-1-piperazinyl]-1-piperidinyl]methyl]benzonitrile hydrochloride IUPAC Name: 3-[[4-[4-(3-methylsulfonylphenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]methyl]benzonitrile hydrochloride Traditional Name: 3-[[4-[4-(3-mesylphenyl)sulfonylpiperazino]piperidino]methyl]benzonitrile hydrochloride Formula: C24H31ClN4O4S2 MolecularWeight: 539.11034

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N.Cl

InChI

InChI=1S/C24H30N4O4S2.ClH/c1-33(29,30)23-6-3-7-24(17-23)34(31,32)28-14-12-27(13-15-28)22-8-10-26(11-9-22)19-21-5-2-4-20(16-21)18-25;/h2-7,16-17,22H,8-15,19H2,1H3;1H