dimethyl 5-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(4-mesylbenzyl)-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H29N3O7S MolecularWeight: 503.56796

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C24H29N3O7S/c1-33-22(28)18-13-19(23(29)34-2)15-20(14-18)25-24(30)27-10-4-9-26(11-12-27)16-17-5-7-21(8-6-17)35(3,31)32/h5-8,13-15H,4,9-12,16H2,1-3H3,(H,25,30)