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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[(3,4-dimethoxyphenyl)methyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[(3,4-dimethoxyphenyl)methyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[(3,4-dimethoxyphenyl)methyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-veratryl-benzamide Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O5S/c1-29-20-10-7-16(13-21(20)30-2)15-24-22(26)18-14-17(8-9-19(18)23)31(27,28)25-11-5-3-4-6-12-25/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,24,26)