(2-ethylsulfanylphenyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-ethylsulfanylphenyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-ethylsulfanylphenyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [2-(ethylthio)phenyl]-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-ethylsulfanylphenyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [2-(ethylthio)phenyl]-(4-nosylpiperazino)methanone Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S2/c1-2-28-18-6-4-3-5-17(18)19(23)20-11-13-21(14-12-20)29(26,27)16-9-7-15(8-10-16)22(24)25/h3-10H,2,11-14H2,1H3