N-[4-[(3S)-2-methylsulfonyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanamide

Systemtic Name: N-[4-[(3S)-2-methylsulfonyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanamide Openeye Name: N-[4-[(3S)-2-methylsulfonyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide CAS Name: N-[4-[(3S)-2-methylsulfonyl-3-(6-quinoxalinyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide IUPAC Name: N-[4-[(3S)-2-methylsulfonyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide Traditional Name: N-[4-[(5S)-1-mesyl-5-quinoxalin-6-yl-2-pyrazolin-3-yl]phenyl]acetamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC4=NC=CN=C4C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H19N5O3S/c1-13(26)23-16-6-3-14(4-7-16)18-12-20(25(24-18)29(2,27)28)15-5-8-17-19(11-15)22-10-9-21-17/h3-11,20H,12H2,1-2H3,(H,23,26)/t20-/m0/s1