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

Systemtic Name: [1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl] 4-methyl-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [1-oxo-1-[4-(1-piperidinylsulfonyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-1-methyl-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O7S/c1-15-6-7-17(14-20(15)25(28)29)22(27)32-16(2)21(26)23-18-8-10-19(11-9-18)33(30,31)24-12-4-3-5-13-24/h6-11,14,16H,3-5,12-13H2,1-2H3,(H,23,26)