1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-phenylsulfanyl-propan-1-one Openeye Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-phenylsulfanyl-propan-1-one CAS Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-3-(phenylthio)-1-propanone IUPAC Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-3-phenylsulfanylpropan-1-one Traditional Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-3-(phenylthio)propan-1-one Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O5S2/c1-16-7-8-17(23(25)26)15-19(16)30(27,28)22-12-10-21(11-13-22)20(24)9-14-29-18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3