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

Systemtic Name: (3S)-5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-2-methylsulfonyl-1,3-dihydropyrazole Openeye Name: (3S)-5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-2-methylsulfonyl-1,3-dihydropyrazole CAS Name: (3S)-5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-2-methylsulfonyl-1,3-dihydropyrazole IUPAC Name: (3S)-5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-2-methylsulfonyl-1,3-dihydropyrazole Traditional Name: (5S)-3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-1-mesyl-3-pyrazoline Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C(C=C(N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Br

Isomeric SMILES

CS(=O)(=O)N1[C@@H](C=C(N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C17H15BrN2O4S/c1-25(21,22)20-15(11-2-5-13(18)6-3-11)9-14(19-20)12-4-7-16-17(8-12)24-10-23-16/h2-9,15,19H,10H2,1H3/t15-/m0/s1