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

Systemtic Name: methyl 4-[(1-cyclopentyl-3-phenyl-pyrazol-4-yl)sulfonylamino]benzoate Openeye Name: methyl 4-[(1-cyclopentyl-3-phenyl-pyrazol-4-yl)sulfonylamino]benzoate CAS Name: 4-[(1-cyclopentyl-3-phenyl-4-pyrazolyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate Traditional Name: 4-[(1-cyclopentyl-3-phenyl-pyrazol-4-yl)sulfonylamino]benzoic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CN(N=C2C3=CC=CC=C3)C4CCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CN(N=C2C3=CC=CC=C3)C4CCCC4

InChI

InChI=1S/C22H23N3O4S/c1-29-22(26)17-11-13-18(14-12-17)24-30(27,28)20-15-25(19-9-5-6-10-19)23-21(20)16-7-3-2-4-8-16/h2-4,7-8,11-15,19,24H,5-6,9-10H2,1H3