4-(3-methyl-5-oxidanylidene-4-propan-2-ylidene-pyrazol-1-yl)benzenesulfonic acid; piperidine

Systemtic Name: 4-(3-methyl-5-oxidanylidene-4-propan-2-ylidene-pyrazol-1-yl)benzenesulfonic acid; piperidine Openeye Name: 4-(4-isopropylidene-3-methyl-5-oxo-pyrazol-1-yl)benzenesulfonic acid; piperidine CAS Name: 4-(3-methyl-5-oxo-4-propan-2-ylidene-1-pyrazolyl)benzenesulfonic acid; piperidine IUPAC Name: 4-(3-methyl-5-oxo-4-propan-2-ylidenepyrazol-1-yl)benzenesulfonic acid; piperidine Traditional Name: 4-(4-isopropylidene-5-keto-3-methyl-2-pyrazolin-1-yl)besylic acid; piperidine Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)C)C2=CC=C(C=C2)S(=O)(=O)O.C1CCNCC1

Isomeric SMILES

CC1=NN(C(=O)C1=C(C)C)C2=CC=C(C=C2)S(=O)(=O)O.C1CCNCC1

InChI

InChI=1S/C13H14N2O4S.C5H11N/c1-8(2)12-9(3)14-15(13(12)16)10-4-6-11(7-5-10)20(17,18)19;1-2-4-6-5-3-1/h4-7H,1-3H3,(H,17,18,19);6H,1-5H2