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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(3,4,5-trimethoxybenzyl)benzamide Formula: C23H29ClN2O6S MolecularWeight: 497.00416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29ClN2O6S/c1-30-19-12-16(13-20(31-2)22(19)32-3)15-25-23(27)17-8-9-18(24)21(14-17)33(28,29)26-10-6-4-5-7-11-26/h8-9,12-14H,4-7,10-11,15H2,1-3H3,(H,25,27)