N-[2-(azepan-1-yl)phenyl]-2-[(2-cyanophenyl)sulfonyl-methyl-amino]ethanamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-2-[(2-cyanophenyl)sulfonyl-methyl-amino]ethanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-2-[(2-cyanophenyl)sulfonyl-methyl-amino]acetamide CAS Name: N-[2-(1-azepanyl)phenyl]-2-[(2-cyanophenyl)sulfonyl-methylamino]acetamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-2-[(2-cyanophenyl)sulfonyl-methylamino]acetamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-2-[(2-cyanophenyl)sulfonyl-methyl-amino]acetamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1N2CCCCCC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1N2CCCCCC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H26N4O3S/c1-25(30(28,29)21-13-7-4-10-18(21)16-23)17-22(27)24-19-11-5-6-12-20(19)26-14-8-2-3-9-15-26/h4-7,10-13H,2-3,8-9,14-15,17H2,1H3,(H,24,27)