[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-ethoxycarbonylanilino)-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(4-ethoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-(4-carbethoxyanilino)-2-keto-ethyl] ester Formula: C22H23ClN2O7S MolecularWeight: 494.94522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O7S/c1-2-31-21(27)15-5-8-17(9-6-15)24-20(26)14-32-22(28)16-7-10-18(23)19(13-16)33(29,30)25-11-3-4-12-25/h5-10,13H,2-4,11-12,14H2,1H3,(H,24,26)