4-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]methyl]-7-methyl-coumarin Formula: C24H25N3O5S2 MolecularWeight: 499.6024

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=CC(=O)OC5=C4C=CC(=C5)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=CC(=O)OC5=C4C=CC(=C5)C

InChI

InChI=1S/C24H25N3O5S2/c1-3-27-21-7-5-18(34(29,30)26-8-10-31-11-9-26)14-20(21)25-24(27)33-15-17-13-23(28)32-22-12-16(2)4-6-19(17)22/h4-7,12-14H,3,8-11,15H2,1-2H3