ethyl 2-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl 2-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: ethyl 2-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[4-[(2-methyl-1-benzimidazolyl)methyl]phenyl]sulfonylamino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]-4-(methylthio)butyric acid ethyl ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NS(=O)(=O)C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C(CCSC)NS(=O)(=O)C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C32)C

InChI

InChI=1S/C22H27N3O4S2/c1-4-29-22(26)20(13-14-30-3)24-31(27,28)18-11-9-17(10-12-18)15-25-16(2)23-19-7-5-6-8-21(19)25/h5-12,20,24H,4,13-15H2,1-3H3