N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3,4-dimethoxy-benzamide Formula: C22H28N2O5S MolecularWeight: 432.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-16-8-10-18(15-21(16)30(26,27)24-12-6-4-5-7-13-24)23-22(25)17-9-11-19(28-2)20(14-17)29-3/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,23,25)