methyl (2R)-3-methyl-2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]butanoate

Systemtic Name: methyl (2R)-3-methyl-2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]butanoate Openeye Name: methyl (2R)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methyl-butanoate CAS Name: (2R)-2-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylbutanoate Traditional Name: (2R)-2-[(1-besylisonipecotoyl)amino]-3-methyl-butyric acid methyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H26N2O5S/c1-13(2)16(18(22)25-3)19-17(21)14-9-11-20(12-10-14)26(23,24)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,19,21)/t16-/m1/s1