5-methyl-2-(4-methylsulfonylphenyl)-3-(4-nitrophenyl)-1H-pyrrole

Systemtic Name: 5-methyl-2-(4-methylsulfonylphenyl)-3-(4-nitrophenyl)-1H-pyrrole Openeye Name: 5-methyl-2-(4-methylsulfonylphenyl)-3-(4-nitrophenyl)-1H-pyrrole CAS Name: 5-methyl-2-(4-methylsulfonylphenyl)-3-(4-nitrophenyl)-1H-pyrrole IUPAC Name: 5-methyl-2-(4-methylsulfonylphenyl)-3-(4-nitrophenyl)-1H-pyrrole Traditional Name: 2-(4-mesylphenyl)-5-methyl-3-(4-nitrophenyl)-1H-pyrrole Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O4S/c1-12-11-17(13-3-7-15(8-4-13)20(21)22)18(19-12)14-5-9-16(10-6-14)25(2,23)24/h3-11,19H,1-2H3