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

Systemtic Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-methylsulfanyl-propan-1-one Openeye Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-methylsulfanyl-propan-1-one CAS Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-3-(methylthio)-1-propanone IUPAC Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-3-methylsulfanylpropan-1-one Traditional Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-3-(methylthio)propan-1-one Formula: C15H21N3O5S2 MolecularWeight: 387.47434

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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)CCSC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCSC

InChI

InChI=1S/C15H21N3O5S2/c1-12-3-4-13(18(20)21)11-14(12)25(22,23)17-8-6-16(7-9-17)15(19)5-10-24-2/h3-4,11H,5-10H2,1-2H3