5-(azepan-1-ylsulfonyl)-2-methoxy-N-(4-methoxy-3-oxidanyl-phenyl)benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(4-methoxy-3-oxidanyl-phenyl)benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(3-hydroxy-4-methoxy-phenyl)-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(3-hydroxy-4-methoxyphenyl)-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(3-hydroxy-4-methoxyphenyl)-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(3-hydroxy-4-methoxy-phenyl)-2-methoxy-benzamide Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-28-19-10-8-16(30(26,27)23-11-5-3-4-6-12-23)14-17(19)21(25)22-15-7-9-20(29-2)18(24)13-15/h7-10,13-14,24H,3-6,11-12H2,1-2H3,(H,22,25)