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

Systemtic Name: N-(4-cyanophenyl)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide Openeye Name: N-(4-cyanophenyl)-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propanamide CAS Name: N-(4-cyanophenyl)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide IUPAC Name: N-(4-cyanophenyl)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide Traditional Name: N-(4-cyanophenyl)-3-(4-tosyl-1,4-diazepan-1-yl)propionamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H26N4O3S/c1-18-3-9-21(10-4-18)30(28,29)26-13-2-12-25(15-16-26)14-11-22(27)24-20-7-5-19(17-23)6-8-20/h3-10H,2,11-16H2,1H3,(H,24,27)