N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3,4-dimethoxy-benzamide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S/c1-28-19-11-9-17(31(26,27)24-12-6-4-5-7-13-24)15-18(19)23-22(25)16-8-10-20(29-2)21(14-16)30-3/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,23,25)