(2S)-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[1-(4-methoxyphenyl)sulfonylnipecotoyl]amino]-3-methyl-butyric acid Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H26N2O6S/c1-12(2)16(18(22)23)19-17(21)13-5-4-10-20(11-13)27(24,25)15-8-6-14(26-3)7-9-15/h6-9,12-13,16H,4-5,10-11H2,1-3H3,(H,19,21)(H,22,23)/t13?,16-/m0/s1