[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)N

InChI

InChI=1S/C19H20ClN3O5S/c20-16-8-3-13(11-17(16)21)19(25)28-12-18(24)22-14-4-6-15(7-5-14)29(26,27)23-9-1-2-10-23/h3-8,11H,1-2,9-10,12,21H2,(H,22,24)