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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(2,4-dimethoxyphenyl)-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-4-methyl-benzamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O5S/c1-16-8-9-17(14-21(16)30(26,27)24-12-6-4-5-7-13-24)22(25)23-19-11-10-18(28-2)15-20(19)29-3/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,23,25)