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

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-azanyl-4-chloranyl-benzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 2-amino-4-chloro-benzoate CAS Name: 2-amino-4-chlorobenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-chloro-benzoic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=C(C=C(C=C3)Cl)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=C(C=C(C=C3)Cl)N

InChI

InChI=1S/C20H21ClN2O5S/c21-15-6-9-17(18(22)12-15)20(25)28-13-19(24)14-4-7-16(8-5-14)29(26,27)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13,22H2