N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

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