ethyl 1-[2-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-nitro-N-(p-tolylsulfonyl)anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-nitro-N-tosyl-anilino)acetyl]isonipecotic acid ethyl ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H27N3O7S/c1-3-33-23(28)18-11-13-24(14-12-18)22(27)16-25(19-5-4-6-20(15-19)26(29)30)34(31,32)21-9-7-17(2)8-10-21/h4-10,15,18H,3,11-14,16H2,1-2H3