[1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [1-methyl-2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic 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-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-keto-1-methyl-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C22H26ClN3O6S MolecularWeight: 495.97634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)OC(=O)C3=CC(=C(C=C3OC)N)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)OC(=O)C3=CC(=C(C=C3OC)N)Cl

InChI

InChI=1S/C22H26ClN3O6S/c1-14(32-22(28)17-12-18(23)19(24)13-20(17)31-2)21(27)25-15-6-8-16(9-7-15)33(29,30)26-10-4-3-5-11-26/h6-9,12-14H,3-5,10-11,24H2,1-2H3,(H,25,27)