5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-homoveratryl-benzamide Formula: C23H29ClN2O5S MolecularWeight: 481.00476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN2O5S/c1-30-21-10-7-17(15-22(21)31-2)11-12-25-23(27)19-16-18(8-9-20(19)24)32(28,29)26-13-5-3-4-6-14-26/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,25,27)