4-(4-methyl-3-nitro-phenyl)sulfonylpiperazine-1-carbaldehyde

Systemtic Name: 4-(4-methyl-3-nitro-phenyl)sulfonylpiperazine-1-carbaldehyde Openeye Name: 4-(4-methyl-3-nitro-phenyl)sulfonylpiperazine-1-carbaldehyde CAS Name: 4-(4-methyl-3-nitrophenyl)sulfonyl-1-piperazinecarboxaldehyde IUPAC Name: 4-(4-methyl-3-nitrophenyl)sulfonylpiperazine-1-carbaldehyde Traditional Name: 4-(4-methyl-3-nitro-phenyl)sulfonylpiperazine-1-carbaldehyde Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O5S/c1-10-2-3-11(8-12(10)15(17)18)21(19,20)14-6-4-13(9-16)5-7-14/h2-3,8-9H,4-7H2,1H3