2-[[4-[[3-butyl-5-(2-hydroxyethyloxy)-1-methyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[4-[[3-butyl-5-(2-hydroxyethyloxy)-1-methyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[4-[[3-butyl-5-(2-hydroxyethoxy)-1-methyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[4-[[3-butyl-5-(2-hydroxyethoxy)-1-methyl-4-pyrazolyl]methyl]anilino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[4-[[3-butyl-5-(2-hydroxyethoxy)-1-methylpyrazol-4-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[4-[[3-butyl-5-(2-hydroxyethoxy)-1-methyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]besylic acid Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O)OCCO)C

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O)OCCO)C

InChI

InChI=1S/C24H29N3O6S/c1-3-4-8-21-20(24(27(2)26-21)33-15-14-28)16-17-10-12-18(13-11-17)25-23(29)19-7-5-6-9-22(19)34(30,31)32/h5-7,9-13,28H,3-4,8,14-16H2,1-2H3,(H,25,29)(H,30,31,32)