[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H30N2O6S/c1-19(28)26-16-7-8-20-12-14-21(15-13-20)24(29)18-33-25(30)23-11-5-6-17-27(23)34(31,32)22-9-3-2-4-10-22/h2-4,9-10,12-15,23H,5-8,11,16-18H2,1H3,(H,26,28)