5-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2-methyl-benzamide

Systemtic Name: 5-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2-methyl-benzamide Openeye Name: 5-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2-methyl-benzamide CAS Name: 5-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2-methylbenzamide IUPAC Name: 5-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2-methylbenzamide Traditional Name: 2-methyl-5-[(4-p-anisyl-1,4-diazepan-1-yl)sulfonyl]benzamide Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC)C(=O)N

InChI

InChI=1S/C21H27N3O4S/c1-16-4-9-19(14-20(16)21(22)25)29(26,27)24-11-3-10-23(12-13-24)15-17-5-7-18(28-2)8-6-17/h4-9,14H,3,10-13,15H2,1-2H3,(H2,22,25)