methyl 1-[2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[N-(benzenesulfonyl)-4-nitro-anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[N-(benzenesulfonyl)-4-nitroanilino]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[N-(benzenesulfonyl)-4-nitroanilino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-besyl-4-nitro-anilino)acetyl]isonipecotic acid methyl ester Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7S/c1-31-21(26)16-11-13-22(14-12-16)20(25)15-23(17-7-9-18(10-8-17)24(27)28)32(29,30)19-5-3-2-4-6-19/h2-10,16H,11-15H2,1H3