methyl (2R,3S)-3-methyl-2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]pentanoate

Systemtic Name: methyl (2R,3S)-3-methyl-2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]pentanoate Openeye Name: methyl (2R,3S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[(1-besylisonipecotoyl)amino]-3-methyl-valeric acid methyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-4-14(2)17(19(23)26-3)20-18(22)15-10-12-21(13-11-15)27(24,25)16-8-6-5-7-9-16/h5-9,14-15,17H,4,10-13H2,1-3H3,(H,20,22)/t14-,17+/m0/s1