1-[8-(4-azanylpiperidin-1-yl)quinolin-2-yl]benzimidazole-5-sulfonic acid

Systemtic Name: 1-[8-(4-azanylpiperidin-1-yl)quinolin-2-yl]benzimidazole-5-sulfonic acid Openeye Name: 1-[8-(4-amino-1-piperidyl)-2-quinolyl]benzimidazole-5-sulfonic acid CAS Name: 1-[8-(4-amino-1-piperidinyl)-2-quinolinyl]-5-benzimidazolesulfonic acid IUPAC Name: 1-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]benzimidazole-5-sulfonic acid Traditional Name: 1-[8-(4-aminopiperidino)-2-quinolyl]benzimidazole-5-sulfonic acid Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)C2=CC=CC3=C2N=C(C=C3)N4C=NC5=C4C=CC(=C5)S(=O)(=O)O

Isomeric SMILES

C1CN(CCC1N)C2=CC=CC3=C2N=C(C=C3)N4C=NC5=C4C=CC(=C5)S(=O)(=O)O

InChI

InChI=1S/C21H21N5O3S/c22-15-8-10-25(11-9-15)19-3-1-2-14-4-7-20(24-21(14)19)26-13-23-17-12-16(30(27,28)29)5-6-18(17)26/h1-7,12-13,15H,8-11,22H2,(H,27,28,29)