2-[[4-(butanoylamino)phenyl]sulfonyl-(2-phenylpyrazol-3-yl)amino]ethanoic acid

Systemtic Name: 2-[[4-(butanoylamino)phenyl]sulfonyl-(2-phenylpyrazol-3-yl)amino]ethanoic acid Openeye Name: 2-[[4-(butanoylamino)phenyl]sulfonyl-(2-phenylpyrazol-3-yl)amino]acetic acid CAS Name: 2-[[4-(1-oxobutylamino)phenyl]sulfonyl-(2-phenyl-3-pyrazolyl)amino]acetic acid IUPAC Name: 2-[[4-(butanoylamino)phenyl]sulfonyl-(2-phenylpyrazol-3-yl)amino]acetic acid Traditional Name: 2-[(4-butyramidophenyl)sulfonyl-(2-phenylpyrazol-3-yl)amino]acetic acid Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=NN2C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=NN2C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O5S/c1-2-6-19(26)23-16-9-11-18(12-10-16)31(29,30)24(15-21(27)28)20-13-14-22-25(20)17-7-4-3-5-8-17/h3-5,7-14H,2,6,15H2,1H3,(H,23,26)(H,27,28)