2-(1-oxidanyl-1-oxidanylidene-pent-4-en-2-yl)-3-(quinolin-8-ylsulfonylamino)pyrrolidine-1-carboxylic acid

Systemtic Name: 2-(1-oxidanyl-1-oxidanylidene-pent-4-en-2-yl)-3-(quinolin-8-ylsulfonylamino)pyrrolidine-1-carboxylic acid Openeye Name: 2-(1-carboxybut-3-enyl)-3-(8-quinolylsulfonylamino)pyrrolidine-1-carboxylic acid CAS Name: 2-(1-hydroxy-1-oxopent-4-en-2-yl)-3-(8-quinolinylsulfonylamino)-1-pyrrolidinecarboxylic acid IUPAC Name: 2-(1-hydroxy-1-oxopent-4-en-2-yl)-3-(quinolin-8-ylsulfonylamino)pyrrolidine-1-carboxylic acid Traditional Name: 2-(1-carboxybut-3-enyl)-3-(8-quinolylsulfonylamino)pyrrolidine-1-carboxylic acid Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C1C(CCN1C(=O)O)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)O

Isomeric SMILES

C=CCC(C1C(CCN1C(=O)O)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)O

InChI

InChI=1S/C19H21N3O6S/c1-2-5-13(18(23)24)17-14(9-11-22(17)19(25)26)21-29(27,28)15-8-3-6-12-7-4-10-20-16(12)15/h2-4,6-8,10,13-14,17,21H,1,5,9,11H2,(H,23,24)(H,25,26)