(2-ethylsulfanylphenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (2-ethylsulfanylphenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (2-ethylsulfanylphenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: [2-(ethylthio)phenyl]-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (2-ethylsulfanylphenyl)-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [2-(ethylthio)phenyl]-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S2/c1-3-29-19-7-5-4-6-16(19)20(24)22-12-10-21(11-13-22)17-9-8-15(30(2,27)28)14-18(17)23(25)26/h4-9,14H,3,10-13H2,1-2H3