2-[[3-[1-(3-methylbutyl)pyrazol-4-yl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[3-[1-(3-methylbutyl)pyrazol-4-yl]phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[3-(1-isopentylpyrazol-4-yl)phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[3-[1-(3-methylbutyl)-4-pyrazolyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[3-[1-(3-methylbutyl)pyrazol-4-yl]phenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[3-(1-isoamylpyrazol-4-yl)phenyl]sulfonylamino]benzoic acid Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C=N1)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)CCN1C=C(C=N1)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H23N3O4S/c1-15(2)10-11-24-14-17(13-22-24)16-6-5-7-18(12-16)29(27,28)23-20-9-4-3-8-19(20)21(25)26/h3-9,12-15,23H,10-11H2,1-2H3,(H,25,26)