3-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(3,4-dimethoxyphenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)benzamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-27-19-11-10-17(15-20(19)28-2)22-21(24)16-8-7-9-18(14-16)29(25,26)23-12-5-3-4-6-13-23/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,22,24)