(3,4-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-16-5-8-18(9-6-16)29(25,26)23-12-4-11-22(13-14-23)21(24)17-7-10-19(27-2)20(15-17)28-3/h5-10,15H,4,11-14H2,1-3H3