[2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxo-ethyl] (2S)-4-hydroxy-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-4-hydroxy-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-[(9-ethyl-3-carbazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] (2S)-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-4-hydroxy-1-tosyl-pyrrolidine-2-carboxylic acid [2-[(9-ethylcarbazol-3-yl)amino]-2-keto-ethyl] ester Formula: C28H29N3O6S MolecularWeight: 535.61136

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C3CC(CN3S(=O)(=O)C4=CC=C(C=C4)C)O)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)[C@@H]3CC(CN3S(=O)(=O)C4=CC=C(C=C4)C)O)C5=CC=CC=C51

InChI

InChI=1S/C28H29N3O6S/c1-3-30-24-7-5-4-6-22(24)23-14-19(10-13-25(23)30)29-27(33)17-37-28(34)26-15-20(32)16-31(26)38(35,36)21-11-8-18(2)9-12-21/h4-14,20,26,32H,3,15-17H2,1-2H3,(H,29,33)/t20?,26-/m0/s1