[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] (2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-tosylpyrrolidine-2-carboxylic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C24H29N3O6S/c1-18-4-10-21(11-5-18)34(30,31)27-12-2-3-22(27)24(29)33-17-23(28)25-19-6-8-20(9-7-19)26-13-15-32-16-14-26/h4-11,22H,2-3,12-17H2,1H3,(H,25,28)/t22-/m0/s1