methyl 4-[(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(6-morpholinosulfonyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[6-(4-morpholinylsulfonyl)-1H-benzimidazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(6-morpholinosulfonyl-1H-benzimidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H21N3O5S2/c1-27-19(24)15-4-2-14(3-5-15)13-29-20-21-17-7-6-16(12-18(17)22-20)30(25,26)23-8-10-28-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,21,22)