N-(3-cyanothiophen-2-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-(4-tosyl-1,4-diazepan-1-yl)acetamide Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C19H22N4O3S2/c1-15-3-5-17(6-4-15)28(25,26)23-9-2-8-22(10-11-23)14-18(24)21-19-16(13-20)7-12-27-19/h3-7,12H,2,8-11,14H2,1H3,(H,21,24)