2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Formula: C25H23N3O5S2 MolecularWeight: 509.59722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H23N3O5S2/c1-32-20-8-6-19(7-9-20)27-35(30,31)21-10-11-23-22(14-21)26-25(33-23)34-16-24(29)28-13-12-17-4-2-3-5-18(17)15-28/h2-11,14,27H,12-13,15-16H2,1H3