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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methoxyphenyl)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] (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C22H24N2O8S MolecularWeight: 476.49956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H24N2O8S/c1-29-16-5-7-17(8-6-16)33(27,28)24-10-2-3-18(24)22(26)32-14-21(25)23-15-4-9-19-20(13-15)31-12-11-30-19/h4-9,13,18H,2-3,10-12,14H2,1H3,(H,23,25)/t18-/m0/s1