1-[4-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-[4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazino]ethanone Formula: C13H16ClN3O5S MolecularWeight: 361.80124

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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)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O5S/c1-9-12(14)7-11(8-13(9)17(19)20)23(21,22)16-5-3-15(4-6-16)10(2)18/h7-8H,3-6H2,1-2H3