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

Systemtic Name: N-[3-[(3R)-3-(3-nitrophenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide Openeye Name: N-[3-[(3R)-3-(3-nitrophenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide CAS Name: N-[3-[(3R)-3-(3-nitrophenyl)-2-(1-oxopropyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide IUPAC Name: N-[3-[(3R)-3-(3-nitrophenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide Traditional Name: N-[3-[(5R)-5-(3-nitrophenyl)-1-propionyl-2-pyrazolin-3-yl]phenyl]ethanesulfonamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S/c1-3-20(25)23-19(15-8-6-10-17(12-15)24(26)27)13-18(21-23)14-7-5-9-16(11-14)22-30(28,29)4-2/h5-12,19,22H,3-4,13H2,1-2H3/t19-/m1/s1