[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4-chloranyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4-chloranyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoate CAS Name: 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylsulfamoyl]benzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzoate Traditional Name: 4-chloro-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-methyl-sulfamoyl]benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C30H31ClN4O6S MolecularWeight: 611.10834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)NCCCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)NCCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C30H31ClN4O6S/c1-21-28(29(37)35(33(21)2)24-14-8-5-9-15-24)34(3)42(39,40)26-19-23(16-17-25(26)31)30(38)41-20-27(36)32-18-10-13-22-11-6-4-7-12-22/h4-9,11-12,14-17,19H,10,13,18,20H2,1-3H3,(H,32,36)