2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylsulfonylphenyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylsulfonylphenyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylsulfonylphenyl)acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylsulfonylphenyl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]-N-(4-mesylphenyl)acetamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N

InChI

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