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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2,4,5-trimethoxybenzyl)benzamide Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)OC)OC

InChI

InChI=1S/C23H30N2O6S/c1-29-20-15-22(31-3)21(30-2)14-18(20)16-24-23(26)17-9-8-10-19(13-17)32(27,28)25-11-6-4-5-7-12-25/h8-10,13-15H,4-7,11-12,16H2,1-3H3,(H,24,26)