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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CC(=NN2S(=O)(=O)C)C3=CC(=CC=C3)NS(=O)(=O)C

Isomeric SMILES

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

InChI

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