methyl (2S)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]amino]-3-methyl-butyric acid methyl ester Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H27N3O6S/c1-13(2)16(17(22)27-4)19-18(23)20-9-11-21(12-10-20)28(24,25)15-7-5-14(26-3)6-8-15/h5-8,13,16H,9-12H2,1-4H3,(H,19,23)/t16-/m0/s1