(2-methoxy-4-methylsulfanyl-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S2/c1-28-17-13-14(29-2)7-8-15(17)19(23)20-9-11-21(12-10-20)30(26,27)18-6-4-3-5-16(18)22(24)25/h3-8,13H,9-12H2,1-2H3