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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O5S/c1-29-18-9-7-17(20(14-18)30-2)15-24-22(26)16-8-10-19(23)21(13-16)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)