ethyl 1-[(2S,4S)-4-ethanoylsulfanyl-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S,4S)-4-ethanoylsulfanyl-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[(2S,4S)-4-acetylsulfanyl-1-(2-naphthylsulfonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(2S,4S)-4-(acetylthio)-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S,4S)-4-acetylsulfanyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(2S,4S)-4-(acetylthio)-1-(2-naphthylsulfonyl)prolyl]isonipecotic acid ethyl ester Formula: C25H30N2O6S2 MolecularWeight: 518.6455

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)SC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@@H]2C[C@@H](CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)SC(=O)C

InChI

InChI=1S/C25H30N2O6S2/c1-3-33-25(30)19-10-12-26(13-11-19)24(29)23-15-21(34-17(2)28)16-27(23)35(31,32)22-9-8-18-6-4-5-7-20(18)14-22/h4-9,14,19,21,23H,3,10-13,15-16H2,1-2H3/t21-,23-/m0/s1