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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-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)C(=O)NCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)N3CCCCCC3

InChI

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