N-[4-[(3S)-3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[(3S)-3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[(3S)-2-methylsulfonyl-3-(p-tolyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide CAS Name: N-[4-[(3S)-3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(3S)-3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[(5S)-1-mesyl-5-(p-tolyl)-2-pyrazolin-3-yl]phenyl]methanesulfonamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2S(=O)(=O)C)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2CC(=NN2S(=O)(=O)C)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C18H21N3O4S2/c1-13-4-6-15(7-5-13)18-12-17(19-21(18)27(3,24)25)14-8-10-16(11-9-14)20-26(2,22)23/h4-11,18,20H,12H2,1-3H3/t18-/m0/s1