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

Systemtic Name: methyl 4-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylamino]benzoate Openeye Name: methyl 4-[(1-benzyl-3-phenyl-pyrazol-4-yl)sulfonylamino]benzoate CAS Name: 4-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-benzyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate Traditional Name: 4-[(1-benzyl-3-phenyl-pyrazol-4-yl)sulfonylamino]benzoic acid methyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O4S/c1-31-24(28)20-12-14-21(15-13-20)26-32(29,30)22-17-27(16-18-8-4-2-5-9-18)25-23(22)19-10-6-3-7-11-19/h2-15,17,26H,16H2,1H3