N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(3-cyanophenyl)amino]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(3-cyanophenyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-cyanoanilino)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(3-cyanoanilino)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(3-cyanoanilino)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-cyanoanilino)acetamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC2=CC=CC(=C2)C#N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC2=CC=CC(=C2)C#N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H26N4O3S/c1-17-9-10-20(14-21(17)30(28,29)26-11-4-2-3-5-12-26)25-22(27)16-24-19-8-6-7-18(13-19)15-23/h6-10,13-14,24H,2-5,11-12,16H2,1H3,(H,25,27)