N-[2-(azepan-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetamide CAS Name: N-[2-(1-azepanyl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-2-[(4-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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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