methyl 1-[4-[(4-nitrophenyl)carbonylamino]phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: methyl 1-[4-[(4-nitrophenyl)carbonylamino]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: methyl 1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylnipecotic acid methyl ester Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7S/c1-30-20(25)15-3-2-12-22(13-15)31(28,29)18-10-6-16(7-11-18)21-19(24)14-4-8-17(9-5-14)23(26)27/h4-11,15H,2-3,12-13H2,1H3,(H,21,24)