2-butyl-7-methoxycarbonyl-1-[[4-[2-(sulfinatoamino)phenyl]phenyl]methyl]benzimidazole

Systemtic Name: 2-butyl-7-methoxycarbonyl-1-[[4-[2-(sulfinatoamino)phenyl]phenyl]methyl]benzimidazole Openeye Name: 2-butyl-7-methoxycarbonyl-1-[[4-[2-(sulfinatoamino)phenyl]phenyl]methyl]benzimidazole CAS Name: 2-butyl-7-methoxycarbonyl-1-[[4-[2-(sulfinatoamino)phenyl]phenyl]methyl]benzimidazole IUPAC Name: 2-butyl-7-methoxycarbonyl-1-[[4-[2-(sulfinatoamino)phenyl]phenyl]methyl]benzimidazole Traditional Name: 2-butyl-7-carbomethoxy-1-[4-[2-(sulfinatoamino)phenyl]benzyl]benzimidazole Formula: C26H26N3O4S- MolecularWeight: 476.56734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4NS(=O)[O-])C(=O)OC

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4NS(=O)[O-])C(=O)OC

InChI

InChI=1S/C26H27N3O4S/c1-3-4-12-24-27-23-11-7-9-21(26(30)33-2)25(23)29(24)17-18-13-15-19(16-14-18)20-8-5-6-10-22(20)28-34(31)32/h5-11,13-16,28H,3-4,12,17H2,1-2H3,(H,31,32)/p-1