2-butyl-7-[butyl(sulfinato)amino]-1-[(2-carboxyoxy-3-phenyl-phenyl)methyl]benzimidazole

Systemtic Name: 2-butyl-7-[butyl(sulfinato)amino]-1-[(2-carboxyoxy-3-phenyl-phenyl)methyl]benzimidazole Openeye Name: 2-butyl-7-[butyl(sulfinato)amino]-1-[(2-carboxyoxy-3-phenyl-phenyl)methyl]benzimidazole CAS Name: 2-butyl-7-[butyl(sulfinato)amino]-1-[(2-carboxyoxy-3-phenylphenyl)methyl]benzimidazole IUPAC Name: 2-butyl-7-[butyl(sulfinato)amino]-1-[(2-carboxyoxy-3-phenylphenyl)methyl]benzimidazole Traditional Name: 2-butyl-7-[butyl(sulfinato)amino]-1-(2-carboxyoxy-3-phenyl-benzyl)benzimidazole Formula: C29H32N3O5S- MolecularWeight: 534.64648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C(=CC=C2)N(CCCC)S(=O)[O-]

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C(=CC=C2)N(CCCC)S(=O)[O-]

InChI

InChI=1S/C29H33N3O5S/c1-3-5-18-26-30-24-16-11-17-25(32(38(35)36)19-6-4-2)27(24)31(26)20-22-14-10-15-23(28(22)37-29(33)34)21-12-8-7-9-13-21/h7-17H,3-6,18-20H2,1-2H3,(H,33,34)(H,35,36)/p-1