N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3,4-dimethoxyphenyl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-28-20-11-10-17(14-21(20)29-2)15-22(25)23-18-8-7-9-19(16-18)30(26,27)24-12-5-3-4-6-13-24/h7-11,14,16H,3-6,12-13,15H2,1-2H3,(H,23,25)