2-[2-[(4-cyanophenyl)methyl]-1-methyl-1-quinolin-8-yl-3-(sulfonylamino)indol-1-ium-5-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-cyanophenyl)methyl]-1-methyl-1-quinolin-8-yl-3-(sulfonylamino)indol-1-ium-5-yl]ethanoic acid Openeye Name: 2-[2-[(4-cyanophenyl)methyl]-1-methyl-1-(8-quinolyl)-3-(sulfonylamino)indol-1-ium-5-yl]acetic acid CAS Name: 2-[2-[(4-cyanophenyl)methyl]-1-methyl-1-(8-quinolinyl)-3-(sulfonylamino)-5-indol-1-iumyl]acetic acid IUPAC Name: 2-[2-[(4-cyanophenyl)methyl]-1-methyl-1-quinolin-8-yl-3-(sulfonylamino)indol-1-ium-5-yl]acetic acid Traditional Name: 2-[2-(4-cyanobenzyl)-1-methyl-1-(8-quinolyl)-3-(sulfonylamino)indol-1-ium-5-yl]acetic acid Formula: C28H21N4O4S+ MolecularWeight: 509.55574

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=C(C=C(C=C2)CC(=O)O)C(=C1CC3=CC=C(C=C3)C#N)N=S(=O)=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C[N+]1(C2=C(C=C(C=C2)CC(=O)O)C(=C1CC3=CC=C(C=C3)C#N)N=S(=O)=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H20N4O4S/c1-32(24-6-2-4-21-5-3-13-30-27(21)24)23-12-11-20(16-26(33)34)14-22(23)28(31-37(35)36)25(32)15-18-7-9-19(17-29)10-8-18/h2-14H,15-16H2,1H3/p+1