N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: 2-(4-tosyl-1,4-diazepan-1-yl)-N-veratryl-acetamide Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H31N3O5S/c1-18-5-8-20(9-6-18)32(28,29)26-12-4-11-25(13-14-26)17-23(27)24-16-19-7-10-21(30-2)22(15-19)31-3/h5-10,15H,4,11-14,16-17H2,1-3H3,(H,24,27)