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

Systemtic Name: N-[2-[(3R)-2-ethanoyl-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Openeye Name: N-[2-[(3R)-2-acetyl-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide CAS Name: N-[2-[(3R)-2-acetyl-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide IUPAC Name: N-[2-[(3R)-2-acetyl-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Traditional Name: N-[2-[(5R)-1-acetyl-5-p-phenetyl-2-pyrazolin-3-yl]phenyl]methanesulfonamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CC(=NN2C(=O)C)C3=CC=CC=C3NS(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)C)C3=CC=CC=C3NS(=O)(=O)C

InChI

InChI=1S/C20H23N3O4S/c1-4-27-16-11-9-15(10-12-16)20-13-19(21-23(20)14(2)24)17-7-5-6-8-18(17)22-28(3,25)26/h5-12,20,22H,4,13H2,1-3H3/t20-/m1/s1