3-[[4-azanyl-2-[1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-yloxy]phenyl]sulfonylamino]-4,4-diethoxy-butanoic acid

Systemtic Name: 3-[[4-azanyl-2-[1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-yloxy]phenyl]sulfonylamino]-4,4-diethoxy-butanoic acid Openeye Name: 3-[[4-amino-2-[1-methyl-2-(2-methylsulfanylbenzimidazol-1-yl)ethoxy]phenyl]sulfonylamino]-4,4-diethoxy-butanoic acid CAS Name: 3-[[4-amino-2-[1-[2-(methylthio)-1-benzimidazolyl]propan-2-yloxy]phenyl]sulfonylamino]-4,4-diethoxybutanoic acid IUPAC Name: 3-[[4-amino-2-[1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-yloxy]phenyl]sulfonylamino]-4,4-diethoxybutanoic acid Traditional Name: 3-[[4-amino-2-[1-methyl-2-[2-(methylthio)benzimidazol-1-yl]ethoxy]phenyl]sulfonylamino]-4,4-diethoxy-butyric acid Formula: C25H34N4O7S2 MolecularWeight: 566.69006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(CC(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)N)OC(C)CN2C3=CC=CC=C3N=C2SC)OCC

Isomeric SMILES

CCOC(C(CC(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)N)OC(C)CN2C3=CC=CC=C3N=C2SC)OCC

InChI

InChI=1S/C25H34N4O7S2/c1-5-34-24(35-6-2)19(14-23(30)31)28-38(32,33)22-12-11-17(26)13-21(22)36-16(3)15-29-20-10-8-7-9-18(20)27-25(29)37-4/h7-13,16,19,24,28H,5-6,14-15,26H2,1-4H3,(H,30,31)