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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=CC(=CC(=C2)OC)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CC(=CC(=C2)OC)OC)S(=O)(=O)N3CCCCCC3

InChI

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