4-azanyl-1,5-dimethyl-2-phenyl-pyrazol-3-one; 3-[ethyl-(3-methylphenyl)amino]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 4-azanyl-1,5-dimethyl-2-phenyl-pyrazol-3-one; 3-[ethyl-(3-methylphenyl)amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-one; 3-(N-ethyl-3-methyl-anilino)-2-hydroxy-propane-1-sulfonic acid CAS Name: 4-amino-1,5-dimethyl-2-phenyl-3-pyrazolone; 3-(N-ethyl-3-methylanilino)-2-hydroxy-1-propanesulfonic acid IUPAC Name: 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one; 3-(N-ethyl-3-methylanilino)-2-hydroxypropane-1-sulfonic acid Traditional Name: 4-amino-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one; 3-(N-ethyl-3-methyl-anilino)-2-hydroxy-propane-1-sulfonic acid Formula: C23H32N4O5S MolecularWeight: 476.58898

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(CS(=O)(=O)O)O)C1=CC=CC(=C1)C.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N

Isomeric SMILES

CCN(CC(CS(=O)(=O)O)O)C1=CC=CC(=C1)C.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N

InChI

InChI=1S/C12H19NO4S.C11H13N3O/c1-3-13(8-12(14)9-18(15,16)17)11-6-4-5-10(2)7-11;1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h4-7,12,14H,3,8-9H2,1-2H3,(H,15,16,17);3-7H,12H2,1-2H3