4-[5-(heptanoylamino)-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid

Systemtic Name: 4-[5-(heptanoylamino)-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[5-(heptanoylamino)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[3-oxo-5-(1-oxoheptylamino)-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[5-(heptanoylamino)-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[3-(enanthylamino)-5-keto-3-pyrazolin-1-yl]besylic acid Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCC(=O)NC1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C16H21N3O5S/c1-2-3-4-5-6-15(20)17-14-11-16(21)19(18-14)12-7-9-13(10-8-12)25(22,23)24/h7-11,18H,2-6H2,1H3,(H,17,20)(H,22,23,24)