4-[[2-(2-oxidanylidene-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazine-1-sulfonic acid

Systemtic Name: 4-[[2-(2-oxidanylidene-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazine-1-sulfonic acid Openeye Name: 4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazine-1-sulfonic acid CAS Name: 4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]-1-piperazinesulfonic acid IUPAC Name: 4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazine-1-sulfonic acid Traditional Name: 4-[[2-(2-keto-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazine-1-sulfonic acid Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)NC(=C3)C4=CC5=CC=CC=C5NC4=O)S(=O)(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)NC(=C3)C4=CC5=CC=CC=C5NC4=O)S(=O)(=O)O

InChI

InChI=1S/C22H22N4O4S/c27-22-18(12-16-3-1-2-4-19(16)24-22)21-13-17-11-15(5-6-20(17)23-21)14-25-7-9-26(10-8-25)31(28,29)30/h1-6,11-13,23H,7-10,14H2,(H,24,27)(H,28,29,30)