3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(3,4-dimethoxyphenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(3,4-dimethoxyphenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(3,4-dimethoxyphenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(3,4-dimethoxyphenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(3,4-dimethoxyphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(3,4-dimethoxyphenyl)benzamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H25ClN2O5S/c1-28-18-10-8-16(14-19(18)29-2)23-21(25)15-7-9-17(22)20(13-15)30(26,27)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25)