tert-butyl 4-(2-methyl-3-nitro-phenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-methyl-3-nitro-phenyl)sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-methyl-3-nitro-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(2-methyl-3-nitrophenyl)sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-methyl-3-nitrophenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(2-methyl-3-nitro-phenyl)sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)N2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)N2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O6S/c1-12-13(19(21)22)6-5-7-14(12)26(23,24)18-10-8-17(9-11-18)15(20)25-16(2,3)4/h5-7H,8-11H2,1-4H3