3-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N-methyl-benzenesulfonamide

Systemtic Name: 3-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N-methyl-benzenesulfonamide Openeye Name: 3-[4-[(4-cyanophenyl)methyl]-1,4-diazepane-1-carbonyl]-N-methyl-benzenesulfonamide CAS Name: 3-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-N-methylbenzenesulfonamide IUPAC Name: 3-[4-[(4-cyanophenyl)methyl]-1,4-diazepane-1-carbonyl]-N-methylbenzenesulfonamide Traditional Name: 3-[4-(4-cyanobenzyl)-1,4-diazepane-1-carbonyl]-N-methyl-benzenesulfonamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H24N4O3S/c1-23-29(27,28)20-5-2-4-19(14-20)21(26)25-11-3-10-24(12-13-25)16-18-8-6-17(15-22)7-9-18/h2,4-9,14,23H,3,10-13,16H2,1H3