[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-hydroxy-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-hydroxy-5-pyrrolidinosulfonyl-benzoic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O

Isomeric SMILES

C1CCC(C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O

InChI

InChI=1S/C18H24N2O6S/c21-16-8-7-14(27(24,25)20-9-3-4-10-20)11-15(16)18(23)26-12-17(22)19-13-5-1-2-6-13/h7-8,11,13,21H,1-6,9-10,12H2,(H,19,22)