[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23N3O7S/c1-15(20(25)22-18-10-3-4-11-19(18)24(27)28)31-21(26)16-8-7-9-17(14-16)32(29,30)23-12-5-2-6-13-23/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,22,25)