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

Systemtic Name: butyl 4-[(1-methyl-3-phenyl-pyrazol-4-yl)sulfonylamino]benzoate Openeye Name: butyl 4-[(1-methyl-3-phenyl-pyrazol-4-yl)sulfonylamino]benzoate CAS Name: 4-[(1-methyl-3-phenyl-4-pyrazolyl)sulfonylamino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1-methyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate Traditional Name: 4-[(1-methyl-3-phenyl-pyrazol-4-yl)sulfonylamino]benzoic acid butyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-3-4-14-28-21(25)17-10-12-18(13-11-17)23-29(26,27)19-15-24(2)22-20(19)16-8-6-5-7-9-16/h5-13,15,23H,3-4,14H2,1-2H3