4-(azepan-1-ylsulfonyl)-N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2-methylanilino)-2-oxo-ethyl]-N-propyl-benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-keto-2-(o-toluidino)ethyl]-N-propyl-benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H33N3O4S/c1-3-16-27(19-24(29)26-23-11-7-6-10-20(23)2)25(30)21-12-14-22(15-13-21)33(31,32)28-17-8-4-5-9-18-28/h6-7,10-15H,3-5,8-9,16-19H2,1-2H3,(H,26,29)