5-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(3-ethylphenyl)-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-2-methoxy-benzamide Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

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