N-[4-[(3R)-3-(1,3-benzodioxol-5-yl)-2-ethanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[(3R)-3-(1,3-benzodioxol-5-yl)-2-ethanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[(3R)-2-acetyl-3-(1,3-benzodioxol-5-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide CAS Name: N-[4-[(3R)-2-acetyl-3-(1,3-benzodioxol-5-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(3R)-2-acetyl-3-(1,3-benzodioxol-5-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[(5R)-1-acetyl-5-(1,3-benzodioxol-5-yl)-2-pyrazolin-3-yl]phenyl]methanesulfonamide Formula: C19H19N3O5S MolecularWeight: 401.43626

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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=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)N1[C@H](CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N3O5S/c1-12(23)22-17(14-5-8-18-19(9-14)27-11-26-18)10-16(20-22)13-3-6-15(7-4-13)21-28(2,24)25/h3-9,17,21H,10-11H2,1-2H3/t17-/m1/s1