methyl 3-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoate

Systemtic Name: methyl 3-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoate Openeye Name: methyl 3-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)sulfamoyl]benzoate CAS Name: 3-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridinylmethyl)sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoate Traditional Name: 3-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)sulfamoyl]benzoic acid methyl ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C(=O)OC)C

InChI

InChI=1S/C26H25N3O5S/c1-17-10-18(2)24-21(11-17)12-22(25(30)28-24)16-29(15-19-6-5-9-27-14-19)35(32,33)23-8-4-7-20(13-23)26(31)34-3/h4-14H,15-16H2,1-3H3,(H,28,30)