(3S)-3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-1,3-dihydropyrazole

Systemtic Name: (3S)-3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-1,3-dihydropyrazole Openeye Name: (3S)-3-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-5-(p-tolyl)-1,3-dihydropyrazole CAS Name: (3S)-3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-1,3-dihydropyrazole IUPAC Name: (3S)-3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-1,3-dihydropyrazole Traditional Name: (5S)-5-(1,3-benzodioxol-5-yl)-1-mesyl-3-(p-tolyl)-3-pyrazoline Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(N(N2)S(=O)(=O)C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C[C@H](N(N2)S(=O)(=O)C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18N2O4S/c1-12-3-5-13(6-4-12)15-10-16(20(19-15)25(2,21)22)14-7-8-17-18(9-14)24-11-23-17/h3-10,16,19H,11H2,1-2H3/t16-/m0/s1