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

Systemtic Name: 3-[[4-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile hydrochloride Openeye Name: 3-[[4-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidyl]methyl]benzonitrile hydrochloride CAS Name: 3-[[4-[4-(3-methoxyphenyl)sulfonyl-1-piperazinyl]-1-piperidinyl]methyl]benzonitrile hydrochloride IUPAC Name: 3-[[4-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]methyl]benzonitrile hydrochloride Traditional Name: 3-[[4-[4-(3-methoxyphenyl)sulfonylpiperazino]piperidino]methyl]benzonitrile hydrochloride Formula: C24H31ClN4O3S MolecularWeight: 491.04594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N.Cl

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N.Cl

InChI

InChI=1S/C24H30N4O3S.ClH/c1-31-23-6-3-7-24(17-23)32(29,30)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