butyl 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonylamino]benzoate

Systemtic Name: butyl 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonylamino]benzoate Openeye Name: butyl 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonylamino]benzoate CAS Name: 4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)sulfonylamino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylamino]benzoate Traditional Name: 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonylamino]benzoic acid butyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O4S/c1-4-5-15-29-22(26)18-11-13-19(14-12-18)24-30(27,28)21-16(2)23-25(17(21)3)20-9-7-6-8-10-20/h6-14,24H,4-5,15H2,1-3H3