1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 2-[(4-nitrophenyl)thio]-1-(4-p-phenetylsulfonylpiperazino)ethanone Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S2/c1-2-29-17-5-9-19(10-6-17)31(27,28)22-13-11-21(12-14-22)20(24)15-30-18-7-3-16(4-8-18)23(25)26/h3-10H,2,11-15H2,1H3