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

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-N-(2-ethoxyphenyl)ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-(2-ethoxyphenyl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)-4-methylanilino]-N-(2-ethoxyphenyl)acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N-(2-ethoxyphenyl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-o-phenetyl-acetamide Formula: C23H31N3O4S MolecularWeight: 445.57494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CNC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CNC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H31N3O4S/c1-3-30-21-11-7-6-10-20(21)25-23(27)17-24-19-13-12-18(2)22(16-19)31(28,29)26-14-8-4-5-9-15-26/h6-7,10-13,16,24H,3-5,8-9,14-15,17H2,1-2H3,(H,25,27)