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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-benzamide Formula: C23H29N3O4S MolecularWeight: 443.55906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O4S/c1-18-7-11-20(12-8-18)24-22(27)17-25(2)23(28)19-9-13-21(14-10-19)31(29,30)26-15-5-3-4-6-16-26/h7-14H,3-6,15-17H2,1-2H3,(H,24,27)