tert-butyl 4-[(4-methylsulfonyl-2-nitro-phenyl)amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-methylsulfonyl-2-nitro-phenyl)amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(4-methylsulfonyl-2-nitro-anilino)piperidine-1-carboxylate CAS Name: 4-(4-methylsulfonyl-2-nitroanilino)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-methylsulfonyl-2-nitroanilino)piperidine-1-carboxylate Traditional Name: 4-(4-mesyl-2-nitro-anilino)piperidine-1-carboxylic acid tert-butyl ester Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O6S/c1-17(2,3)26-16(21)19-9-7-12(8-10-19)18-14-6-5-13(27(4,24)25)11-15(14)20(22)23/h5-6,11-12,18H,7-10H2,1-4H3