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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-methyl-N-veratryl-benzamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H30N2O5S/c1-24(17-18-11-12-21(29-2)22(15-18)30-3)23(26)19-9-8-10-20(16-19)31(27,28)25-13-6-4-5-7-14-25/h8-12,15-16H,4-7,13-14,17H2,1-3H3