N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide Openeye Name: 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide Traditional Name: 2-(2-keto-1,3-benzoxazol-3-yl)-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CN4C5=CC=CC=C5OC4=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CN4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C25H23N3O5S/c1-17-6-10-21(11-7-17)34(31,32)27-13-12-18-8-9-20(14-19(18)15-27)26-24(29)16-28-22-4-2-3-5-23(22)33-25(28)30/h2-11,14H,12-13,15-16H2,1H3,(H,26,29)