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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

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