[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl] 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid [2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl] ester Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C22H25ClN2O6S/c1-30-17-6-4-16(5-7-17)10-11-24-21(26)15-31-22(27)19-14-18(8-9-20(19)23)32(28,29)25-12-2-3-13-25/h4-9,14H,2-3,10-13,15H2,1H3,(H,24,26)