benzenesulfonic acid; 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-1H-benzimidazole

Systemtic Name: benzenesulfonic acid; 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-1H-benzimidazole Openeye Name: benzenesulfonic acid; 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-1H-benzimidazole CAS Name: benzenesulfonic acid; 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole IUPAC Name: benzenesulfonic acid; 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole Traditional Name: besylic acid; 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-1H-benzimidazole Formula: C23H25N3O6S2 MolecularWeight: 503.5911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C17H19N3O3S.C6H6O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;7-10(8,9)6-4-2-1-3-5-6/h5-8H,9H2,1-4H3,(H,19,20);1-5H,(H,7,8,9)/t24-;/m0./s1