methyl (2S)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H27N3O6S2 MolecularWeight: 445.55348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C18H27N3O6S2/c1-26-14-4-6-15(7-5-14)29(24,25)21-11-9-20(10-12-21)18(23)19-16(8-13-28-3)17(22)27-2/h4-7,16H,8-13H2,1-3H3,(H,19,23)/t16-/m0/s1