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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-chloranyl-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-chloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate CAS Name: 3-chloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate Traditional Name: 3-chloro-5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C30H33ClN4O6S MolecularWeight: 613.12422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=CC(=C3)C(=O)OCC(=O)NC45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=CC(=C3)C(=O)OCC(=O)NC45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C30H33ClN4O6S/c1-18-27(28(37)35(34(18)2)24-6-4-3-5-7-24)33-42(39,40)25-12-22(11-23(31)13-25)29(38)41-17-26(36)32-30-14-19-8-20(15-30)10-21(9-19)16-30/h3-7,11-13,19-21,33H,8-10,14-17H2,1-2H3,(H,32,36)