[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)ethanoate

Systemtic Name: [2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C22H25ClN2O7S MolecularWeight: 496.9611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)OC

InChI

InChI=1S/C22H25ClN2O7S/c1-30-19-8-5-15(11-20(19)31-2)12-22(27)32-14-21(26)24-18-13-16(6-7-17(18)23)33(28,29)25-9-3-4-10-25/h5-8,11,13H,3-4,9-10,12,14H2,1-2H3,(H,24,26)