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

Systemtic Name: methyl (2R,3S)-3-methyl-2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]pentanoate Openeye Name: methyl (2R,3S)-3-methyl-2-[[4-(1-piperidylsulfonyl)benzoyl]amino]pentanoate CAS Name: (2R,3S)-3-methyl-2-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-methyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pentanoate Traditional Name: (2R,3S)-3-methyl-2-[(4-piperidinosulfonylbenzoyl)amino]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)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C19H28N2O5S/c1-4-14(2)17(19(23)26-3)20-18(22)15-8-10-16(11-9-15)27(24,25)21-12-6-5-7-13-21/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,20,22)/t14-,17+/m0/s1