2-aminocarbonyl-4-[4-(hydroxymethyl)-4-methyl-3-oxidanylidene-pyrazolidin-1-yl]-3-phenyl-benzenesulfonic acid

Systemtic Name: 2-aminocarbonyl-4-[4-(hydroxymethyl)-4-methyl-3-oxidanylidene-pyrazolidin-1-yl]-3-phenyl-benzenesulfonic acid Openeye Name: 2-carbamoyl-4-[4-(hydroxymethyl)-4-methyl-3-oxo-pyrazolidin-1-yl]-3-phenyl-benzenesulfonic acid CAS Name: 2-carbamoyl-4-[4-(hydroxymethyl)-4-methyl-3-oxo-1-pyrazolidinyl]-3-phenylbenzenesulfonic acid IUPAC Name: 2-carbamoyl-4-[4-(hydroxymethyl)-4-methyl-3-oxopyrazolidin-1-yl]-3-phenylbenzenesulfonic acid Traditional Name: 2-carbamoyl-4-(3-keto-4-methyl-4-methylol-pyrazolidin-1-yl)-3-phenyl-besylic acid Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(NC1=O)C2=C(C(=C(C=C2)S(=O)(=O)O)C(=O)N)C3=CC=CC=C3)CO

Isomeric SMILES

CC1(CN(NC1=O)C2=C(C(=C(C=C2)S(=O)(=O)O)C(=O)N)C3=CC=CC=C3)CO

InChI

InChI=1S/C18H19N3O6S/c1-18(10-22)9-21(20-17(18)24)12-7-8-13(28(25,26)27)15(16(19)23)14(12)11-5-3-2-4-6-11/h2-8,22H,9-10H2,1H3,(H2,19,23)(H,20,24)(H,25,26,27)