(phenylmethyl) 3-methyl-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]-2,3-dihydroindole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-methyl-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]-2,3-dihydroindole-1-carboxylate Openeye Name: benzyl 3-methyl-2-[(E)-2-(p-tolylsulfonyl)vinyl]indoline-1-carboxylate CAS Name: 3-methyl-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]-2,3-dihydroindole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]-2,3-dihydroindole-1-carboxylate Traditional Name: 3-methyl-2-[(E)-2-tosylvinyl]indoline-1-carboxylic acid benzyl ester Formula: C26H25NO4S MolecularWeight: 447.546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C2=CC=CC=C12)C(=O)OCC3=CC=CC=C3)C=CS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1C(N(C2=CC=CC=C12)C(=O)OCC3=CC=CC=C3)/C=C/S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H25NO4S/c1-19-12-14-22(15-13-19)32(29,30)17-16-24-20(2)23-10-6-7-11-25(23)27(24)26(28)31-18-21-8-4-3-5-9-21/h3-17,20,24H,18H2,1-2H3/b17-16+