[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C21H21ClN2O7S MolecularWeight: 480.91864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21ClN2O7S/c22-14-3-6-16(7-4-14)32(27,28)24-9-1-2-17(24)21(26)31-13-20(25)23-15-5-8-18-19(12-15)30-11-10-29-18/h3-8,12,17H,1-2,9-11,13H2,(H,23,25)