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

Systemtic Name: butyl 4-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylamino]benzoate Openeye Name: butyl 4-[(1-benzyl-3-phenyl-pyrazol-4-yl)sulfonylamino]benzoate CAS Name: 4-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]sulfonylamino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1-benzyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate Traditional Name: 4-[(1-benzyl-3-phenyl-pyrazol-4-yl)sulfonylamino]benzoic acid butyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4S/c1-2-3-18-34-27(31)23-14-16-24(17-15-23)29-35(32,33)25-20-30(19-21-10-6-4-7-11-21)28-26(25)22-12-8-5-9-13-22/h4-17,20,29H,2-3,18-19H2,1H3