dimethyl 5-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-ethylphenyl)methyl-(3-pyridylmethyl)sulfamoyl]benzene-1,3-dicarboxylate CAS Name: 5-[(4-ethylphenyl)methyl-(3-pyridinylmethyl)sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-ethylbenzyl)-(3-pyridylmethyl)sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)S(=O)(=O)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)S(=O)(=O)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C25H26N2O6S/c1-4-18-7-9-19(10-8-18)16-27(17-20-6-5-11-26-15-20)34(30,31)23-13-21(24(28)32-2)12-22(14-23)25(29)33-3/h5-15H,4,16-17H2,1-3H3