5-(4-methoxyphenyl)-3-(3-nitrophenyl)-2-(phenylsulfonyl)-3,4-dihydropyrazole

Systemtic Name: 5-(4-methoxyphenyl)-3-(3-nitrophenyl)-2-(phenylsulfonyl)-3,4-dihydropyrazole Openeye Name: 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazole CAS Name: 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazole IUPAC Name: 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazole Traditional Name: 1-besyl-3-(4-methoxyphenyl)-5-(3-nitrophenyl)-2-pyrazoline Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O5S/c1-30-19-12-10-16(11-13-19)21-15-22(17-6-5-7-18(14-17)25(26)27)24(23-21)31(28,29)20-8-3-2-4-9-20/h2-14,22H,15H2,1H3