5-(azepan-1-ylsulfonyl)-N-[3-(hydroxymethyl)phenyl]-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[3-(hydroxymethyl)phenyl]-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[3-(hydroxymethyl)phenyl]-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(3-methylolphenyl)benzamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=CC(=C3)CO

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=CC(=C3)CO

InChI

InChI=1S/C21H26N2O5S/c1-28-20-10-9-18(29(26,27)23-11-4-2-3-5-12-23)14-19(20)21(25)22-17-8-6-7-16(13-17)15-24/h6-10,13-14,24H,2-5,11-12,15H2,1H3,(H,22,25)