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

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-2-(4-tosyl-1,4-diazepan-1-yl)propionamide Formula: C20H24N4O3S2 MolecularWeight: 432.55956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S2/c1-15-4-6-18(7-5-15)29(26,27)24-10-3-9-23(11-12-24)16(2)19(25)22-20-17(14-21)8-13-28-20/h4-8,13,16H,3,9-12H2,1-2H3,(H,22,25)