3-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-veratryl-benzamide Formula: C23H30N2O6S MolecularWeight: 462.5591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O6S/c1-29-19-10-8-17(14-21(19)31-3)16-24-23(26)18-9-11-20(30-2)22(15-18)32(27,28)25-12-6-4-5-7-13-25/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H,24,26)