methyl (2S)-2-[[3-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[3-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[3-[(2S)-2-methylpiperidino]sulfonylbenzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H28N2O5S2 MolecularWeight: 428.56602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C19H28N2O5S2/c1-14-7-4-5-11-21(14)28(24,25)16-9-6-8-15(13-16)18(22)20-17(10-12-27-3)19(23)26-2/h6,8-9,13-14,17H,4-5,7,10-12H2,1-3H3,(H,20,22)/t14-,17-/m0/s1