methyl 4-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methylsulfamoyl]benzoate

Systemtic Name: methyl 4-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methylsulfamoyl]benzoate Openeye Name: methyl 4-[(1-benzyl-3-phenyl-pyrazol-4-yl)methylsulfamoyl]benzoate CAS Name: 4-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-benzyl-3-phenylpyrazol-4-yl)methylsulfamoyl]benzoate Traditional Name: 4-[(1-benzyl-3-phenyl-pyrazol-4-yl)methylsulfamoyl]benzoic acid methyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O4S/c1-32-25(29)21-12-14-23(15-13-21)33(30,31)26-16-22-18-28(17-19-8-4-2-5-9-19)27-24(22)20-10-6-3-7-11-20/h2-15,18,26H,16-17H2,1H3