1-oxidanyl-4-[[(2S,4S)-1-prop-2-enoxycarbonyl-4-sulfanyl-pyrrolidin-2-yl]methylsulfamoyl]naphthalene-2-carboxylic acid

Systemtic Name: 1-oxidanyl-4-[[(2S,4S)-1-prop-2-enoxycarbonyl-4-sulfanyl-pyrrolidin-2-yl]methylsulfamoyl]naphthalene-2-carboxylic acid Openeye Name: 4-[[(2S,4S)-1-allyloxycarbonyl-4-sulfanyl-pyrrolidin-2-yl]methylsulfamoyl]-1-hydroxy-naphthalene-2-carboxylic acid CAS Name: 1-hydroxy-4-[[(2S,4S)-4-mercapto-1-[oxo(prop-2-enoxy)methyl]-2-pyrrolidinyl]methylsulfamoyl]-2-naphthalenecarboxylic acid IUPAC Name: 1-hydroxy-4-[[(2S,4S)-1-prop-2-enoxycarbonyl-4-sulfanylpyrrolidin-2-yl]methylsulfamoyl]naphthalene-2-carboxylic acid Traditional Name: 4-[[(2S,4S)-1-allyloxycarbonyl-4-mercapto-pyrrolidin-2-yl]methylsulfamoyl]-1-hydroxy-2-naphthoic acid Formula: C20H22N2O7S2 MolecularWeight: 466.52788

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1CNS(=O)(=O)C2=CC(=C(C3=CC=CC=C32)O)C(=O)O)S

Isomeric SMILES

C=CCOC(=O)N1C[C@H](C[C@H]1CNS(=O)(=O)C2=CC(=C(C3=CC=CC=C32)O)C(=O)O)S

InChI

InChI=1S/C20H22N2O7S2/c1-2-7-29-20(26)22-11-13(30)8-12(22)10-21-31(27,28)17-9-16(19(24)25)18(23)15-6-4-3-5-14(15)17/h2-6,9,12-13,21,23,30H,1,7-8,10-11H2,(H,24,25)/t12-,13-/m0/s1