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

Systemtic Name: 3-[[4-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]piperidino]methyl]benzonitrile Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)N2CCCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N2CCCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H32N4O3S/c1-32-24-7-3-8-25(18-24)33(30,31)29-12-4-11-28(15-16-29)23-9-13-27(14-10-23)20-22-6-2-5-21(17-22)19-26/h2-3,5-8,17-18,23H,4,9-16,20H2,1H3