3-(azepan-1-ylsulfonyl)-N-(4-cyanophenyl)-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(4-cyanophenyl)-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(4-cyanophenyl)-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(4-cyanophenyl)-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(4-cyanophenyl)-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(4-cyanophenyl)-4-methoxy-benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C#N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C#N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H23N3O4S/c1-28-19-11-8-17(21(25)23-18-9-6-16(15-22)7-10-18)14-20(19)29(26,27)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13H2,1H3,(H,23,25)