1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-phenylsulfanyl-butan-1-one

Systemtic Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-phenylsulfanyl-butan-1-one Openeye Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-phenylsulfanyl-butan-1-one CAS Name: 1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-4-(phenylthio)-1-butanone IUPAC Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-phenylsulfanylbutan-1-one Traditional Name: 1-[4-(3-nitrophenyl)sulfonylpiperazino]-4-(phenylthio)butan-1-one Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S2/c24-20(10-5-15-29-18-7-2-1-3-8-18)21-11-13-22(14-12-21)30(27,28)19-9-4-6-17(16-19)23(25)26/h1-4,6-9,16H,5,10-15H2