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

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-keto-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C21H24ClN3O6S MolecularWeight: 481.94976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Cl)N

InChI

InChI=1S/C21H24ClN3O6S/c1-30-19-12-18(23)17(22)11-16(19)21(27)31-13-20(26)24-14-5-7-15(8-6-14)32(28,29)25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10,13,23H2,1H3,(H,24,26)