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

Systemtic Name: N-[4-[(3R)-2-ethanoyl-3-(3-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[(3R)-2-acetyl-3-(3-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide CAS Name: N-[4-[(3R)-2-acetyl-3-(3-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(3R)-2-acetyl-3-(3-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[(5R)-1-acetyl-5-(3-nitrophenyl)-2-pyrazolin-3-yl]phenyl]methanesulfonamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=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/C18H18N4O5S/c1-12(23)21-18(14-4-3-5-16(10-14)22(24)25)11-17(19-21)13-6-8-15(9-7-13)20-28(2,26)27/h3-10,18,20H,11H2,1-2H3/t18-/m1/s1