N-[4-[(3R)-2-butanoyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[(3R)-2-butanoyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[(3R)-2-butanoyl-3-(2-furyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide CAS Name: N-[4-[(3R)-3-(2-furanyl)-2-(1-oxobutyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(3R)-2-butanoyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[(5R)-1-butyryl-5-(2-furyl)-2-pyrazolin-3-yl]phenyl]methanesulfonamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=CO3

Isomeric SMILES

CCCC(=O)N1[C@H](CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=CO3

InChI

InChI=1S/C18H21N3O4S/c1-3-5-18(22)21-16(17-6-4-11-25-17)12-15(19-21)13-7-9-14(10-8-13)20-26(2,23)24/h4,6-11,16,20H,3,5,12H2,1-2H3/t16-/m1/s1