1-[(5-oxidanylidene-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)sulfonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-oxidanylidene-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)sulfonyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)sulfonyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-keto-6,11-dihydroinden[1,2-c]isoquinolin-9-yl)sulfonyl]isonipecotic acid Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C22H20N2O5S/c25-21-18-4-2-1-3-17(18)19-12-14-11-15(5-6-16(14)20(19)23-21)30(28,29)24-9-7-13(8-10-24)22(26)27/h1-6,11,13H,7-10,12H2,(H,23,25)(H,26,27)