ethyl (2R,3R)-2-azanyl-3-oxidanyl-3-[1-(phenylsulfonyl)pyrrol-3-yl]propanoate

Systemtic Name: ethyl (2R,3R)-2-azanyl-3-oxidanyl-3-[1-(phenylsulfonyl)pyrrol-3-yl]propanoate Openeye Name: ethyl (2R,3R)-2-amino-3-[1-(benzenesulfonyl)pyrrol-3-yl]-3-hydroxy-propanoate CAS Name: (2R,3R)-2-amino-3-[1-(benzenesulfonyl)-3-pyrrolyl]-3-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-2-amino-3-[1-(benzenesulfonyl)pyrrol-3-yl]-3-hydroxypropanoate Traditional Name: (2R,3R)-2-amino-3-(1-besylpyrrol-3-yl)-3-hydroxy-propionic acid ethyl ester Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2)O)N

Isomeric SMILES

CCOC(=O)[C@@H]([C@@H](C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2)O)N

InChI

InChI=1S/C15H18N2O5S/c1-2-22-15(19)13(16)14(18)11-8-9-17(10-11)23(20,21)12-6-4-3-5-7-12/h3-10,13-14,18H,2,16H2,1H3/t13-,14-/m1/s1