potassium 1-[6-imidazol-1-yl-2-(4-sulfinatophenyl)octan-4-yl]-2H-pyrrol-5-one

Systemtic Name: potassium 1-[6-imidazol-1-yl-2-(4-sulfinatophenyl)octan-4-yl]-2H-pyrrol-5-one Openeye Name: potassium 1-[3-imidazol-1-yl-1-[2-(4-sulfinatophenyl)propyl]pentyl]-2H-pyrrol-5-one CAS Name: potassium 1-[6-(1-imidazolyl)-2-(4-sulfinatophenyl)octan-4-yl]-2H-pyrrol-5-one IUPAC Name: potassium 1-[6-imidazol-1-yl-2-(4-sulfinatophenyl)octan-4-yl]-2H-pyrrol-5-one Traditional Name: potassium 1-[3-imidazol-1-yl-1-[2-(4-sulfinatophenyl)propyl]pentyl]-3-pyrrolin-2-one Formula: C21H26KN3O3S MolecularWeight: 439.61274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)C1=CC=C(C=C1)[S-](=O)=O)N2CC=CC2=O)N3C=CN=C3.[K+]

Isomeric SMILES

CCC(CC(CC(C)C1=CC=C(C=C1)[S-](=O)=O)N2CC=CC2=O)N3C=CN=C3.[K+]

InChI

InChI=1S/C21H26N3O3S.K/c1-3-18(23-12-10-22-15-23)14-19(24-11-4-5-21(24)25)13-16(2)17-6-8-20(9-7-17)28(26)27;/h4-10,12,15-16,18-19H,3,11,13-14H2,1-2H3;/q-1;+1