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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-veratryl-acetamide Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H30N2O6S/c1-29-21-12-7-18(15-22(21)30-2)16-24-23(26)17-31-19-8-10-20(11-9-19)32(27,28)25-13-5-3-4-6-14-25/h7-12,15H,3-6,13-14,16-17H2,1-2H3,(H,24,26)