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

Systemtic Name: N-[4-[(3R)-3-(3-nitrophenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[(3R)-3-(3-nitrophenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide CAS Name: N-[4-[(3R)-3-(3-nitrophenyl)-2-(1-oxopropyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(3R)-3-(3-nitrophenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[(5R)-5-(3-nitrophenyl)-1-propionyl-2-pyrazolin-3-yl]phenyl]methanesulfonamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1[C@H](CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-3-19(24)22-18(14-5-4-6-16(11-14)23(25)26)12-17(20-22)13-7-9-15(10-8-13)21-29(2,27)28/h4-11,18,21H,3,12H2,1-2H3/t18-/m1/s1