methyl (2S)-3-oxidanyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-oxidanyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[(4-pyrrolidinosulfonylbenzoyl)amino]propionic acid methyl ester Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C15H20N2O6S/c1-23-15(20)13(10-18)16-14(19)11-4-6-12(7-5-11)24(21,22)17-8-2-3-9-17/h4-7,13,18H,2-3,8-10H2,1H3,(H,16,19)/t13-/m0/s1