N-[2-[(3S)-2-butanoyl-3-(3-methoxy-2-oxidanyl-phenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

Systemtic Name: N-[2-[(3S)-2-butanoyl-3-(3-methoxy-2-oxidanyl-phenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Openeye Name: N-[2-[(3S)-2-butanoyl-3-(2-hydroxy-3-methoxy-phenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide CAS Name: N-[2-[(3S)-3-(2-hydroxy-3-methoxyphenyl)-2-(1-oxobutyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide IUPAC Name: N-[2-[(3S)-2-butanoyl-3-(2-hydroxy-3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Traditional Name: N-[2-[(5S)-1-butyryl-5-(2-hydroxy-3-methoxy-phenyl)-2-pyrazolin-3-yl]phenyl]methanesulfonamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(CC(=N1)C2=CC=CC=C2NS(=O)(=O)C)C3=C(C(=CC=C3)OC)O

Isomeric SMILES

CCCC(=O)N1[C@@H](CC(=N1)C2=CC=CC=C2NS(=O)(=O)C)C3=C(C(=CC=C3)OC)O

InChI

InChI=1S/C21H25N3O5S/c1-4-8-20(25)24-18(15-10-7-12-19(29-2)21(15)26)13-17(22-24)14-9-5-6-11-16(14)23-30(3,27)28/h5-7,9-12,18,23,26H,4,8,13H2,1-3H3/t18-/m0/s1