N-(1-cyanocycloheptyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(1-cyanocycloheptyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(1-cyanocycloheptyl)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(1-cyanocycloheptyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(1-cyanocycloheptyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-(1-cyanocycloheptyl)-2-(4-tosyl-1,4-diazepan-1-yl)acetamide Formula: C22H32N4O3S MolecularWeight: 432.57948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3(CCCCCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3(CCCCCC3)C#N

InChI

InChI=1S/C22H32N4O3S/c1-19-7-9-20(10-8-19)30(28,29)26-14-6-13-25(15-16-26)17-21(27)24-22(18-23)11-4-2-3-5-12-22/h7-10H,2-6,11-17H2,1H3,(H,24,27)