[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-[(1-bromo-2-naphthyl)sulfanyl]acetate CAS Name: 2-[(1-bromo-2-naphthalenyl)thio]acetic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(1-bromonaphthalen-2-yl)sulfanylacetate Traditional Name: 2-[(1-bromo-2-naphthyl)thio]acetic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C24H23BrN2O5S2 MolecularWeight: 563.48382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CSC3=C(C4=CC=CC=C4C=C3)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CSC3=C(C4=CC=CC=C4C=C3)Br

InChI

InChI=1S/C24H23BrN2O5S2/c25-24-20-9-2-1-6-17(20)10-11-21(24)33-16-23(29)32-15-22(28)26-18-7-5-8-19(14-18)34(30,31)27-12-3-4-13-27/h1-2,5-11,14H,3-4,12-13,15-16H2,(H,26,28)