methyl 1-[4-[2-(2-nitrophenyl)ethanoylamino]phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: methyl 1-[4-[2-(2-nitrophenyl)ethanoylamino]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: methyl 1-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-[[2-(2-nitrophenyl)-1-oxoethyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]sulfonylnipecotic acid methyl ester Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

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