[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-2-(3-piperidinosulfonylanilino)ethyl] ester Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O7S/c1-15-8-9-16(12-19(15)24(27)28)21(26)31-14-20(25)22-17-6-5-7-18(13-17)32(29,30)23-10-3-2-4-11-23/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,22,25)