ethyl 2-azanyl-3-oxidanyl-3-[1-(phenylsulfonyl)pyrrol-3-yl]butanoate

Systemtic Name: ethyl 2-azanyl-3-oxidanyl-3-[1-(phenylsulfonyl)pyrrol-3-yl]butanoate Openeye Name: ethyl 2-amino-3-[1-(benzenesulfonyl)pyrrol-3-yl]-3-hydroxy-butanoate CAS Name: 2-amino-3-[1-(benzenesulfonyl)-3-pyrrolyl]-3-hydroxybutanoic acid ethyl ester IUPAC Name: ethyl 2-amino-3-[1-(benzenesulfonyl)pyrrol-3-yl]-3-hydroxybutanoate Traditional Name: 2-amino-3-(1-besylpyrrol-3-yl)-3-hydroxy-butyric acid ethyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5S/c1-3-23-15(19)14(17)16(2,20)12-9-10-18(11-12)24(21,22)13-7-5-4-6-8-13/h4-11,14,20H,3,17H2,1-2H3