4-[[4-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]piperazino]methyl]benzonitrile Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H32N4O4S/c1-34-25-11-10-23(35(32,33)30-12-4-2-3-5-13-30)18-24(25)26(31)29-16-14-28(15-17-29)20-22-8-6-21(19-27)7-9-22/h6-11,18H,2-5,12-17,20H2,1H3