4-[5-[aminocarbonyl(methyl)amino]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid; N,N-diethylethanamine

Systemtic Name: 4-[5-[aminocarbonyl(methyl)amino]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid; N,N-diethylethanamine Openeye Name: 4-[5-[carbamoyl(methyl)amino]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid; N,N-diethylethanamine CAS Name: 4-[5-[carbamoyl(methyl)amino]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid; N,N-diethylethanamine IUPAC Name: 4-[5-[carbamoyl(methyl)amino]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid; N,N-diethylethanamine Traditional Name: 4-[3-[carbamoyl(methyl)amino]-5-keto-3-pyrazolin-1-yl]besylic acid; triethylamine Formula: C17H27N5O5S MolecularWeight: 413.49178

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CN(C1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)C(=O)N

Isomeric SMILES

CCN(CC)CC.CN(C1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)C(=O)N

InChI

InChI=1S/C11H12N4O5S.C6H15N/c1-14(11(12)17)9-6-10(16)15(13-9)7-2-4-8(5-3-7)21(18,19)20;1-4-7(5-2)6-3/h2-6,13H,1H3,(H2,12,17)(H,18,19,20);4-6H2,1-3H3