(3S)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydropyrazole

Systemtic Name: (3S)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydropyrazole Openeye Name: (3S)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(p-tolylsulfonyl)-1,3-dihydropyrazole CAS Name: (3S)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydropyrazole IUPAC Name: (3S)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydropyrazole Traditional Name: (5S)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-1-tosyl-3-pyrazoline Formula: C23H21BrN2O3S MolecularWeight: 485.39344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C=C(N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](C=C(N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H21BrN2O3S/c1-16-3-13-21(14-4-16)30(27,28)26-23(18-7-11-20(29-2)12-8-18)15-22(25-26)17-5-9-19(24)10-6-17/h3-15,23,25H,1-2H3/t23-/m0/s1