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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-veratryl-benzamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

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