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

Systemtic Name: methyl 2-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)S(=O)(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)S(=O)(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C21H25N3O4S2/c1-15-22-18-6-4-5-7-20(18)24(15)14-16-8-10-17(11-9-16)30(26,27)23-19(12-13-29-3)21(25)28-2/h4-11,19,23H,12-14H2,1-3H3