(4-nitrophenyl) 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: (4-nitrophenyl) 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate Openeye Name: (4-nitrophenyl) 4-(p-tolylsulfonyl)piperazine-1-carboxylate CAS Name: 4-(4-methylphenyl)sulfonyl-1-piperazinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-tosylpiperazine-1-carboxylic acid (4-nitrophenyl) ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c1-14-2-8-17(9-3-14)28(25,26)20-12-10-19(11-13-20)18(22)27-16-6-4-15(5-7-16)21(23)24/h2-9H,10-13H2,1H3