3-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(2,4-dimethylphenyl)-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-4-methoxy-benzamide Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-16-8-10-19(17(2)14-16)23-22(25)18-9-11-20(28-3)21(15-18)29(26,27)24-12-6-4-5-7-13-24/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,23,25)