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

Systemtic Name: N-[4-[(3R)-3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide Openeye Name: N-[4-[(3R)-3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide CAS Name: N-[4-[(3R)-3-(4-methoxyphenyl)-2-(1-oxopropyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide IUPAC Name: N-[4-[(3R)-3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide Traditional Name: N-[4-[(5R)-5-(4-methoxyphenyl)-1-propionyl-2-pyrazolin-3-yl]phenyl]ethanesulfonamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)CC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC(=O)N1[C@H](CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)CC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O4S/c1-4-21(25)24-20(16-8-12-18(28-3)13-9-16)14-19(22-24)15-6-10-17(11-7-15)23-29(26,27)5-2/h6-13,20,23H,4-5,14H2,1-3H3/t20-/m1/s1