methyl 1-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-mesyl-2-methyl-5-nitro-anilino)acetyl]isonipecotic acid methyl ester Formula: C17H23N3O7S MolecularWeight: 413.44542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C17H23N3O7S/c1-12-4-5-14(20(23)24)10-15(12)19(28(3,25)26)11-16(21)18-8-6-13(7-9-18)17(22)27-2/h4-5,10,13H,6-9,11H2,1-3H3