(phenylmethyl) 3,5-dimethyl-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]-2,3-dihydroindole-1-carboxylate

Systemtic Name: (phenylmethyl) 3,5-dimethyl-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]-2,3-dihydroindole-1-carboxylate Openeye Name: benzyl 3,5-dimethyl-2-[(E)-2-(p-tolylsulfonyl)vinyl]indoline-1-carboxylate CAS Name: 3,5-dimethyl-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]-2,3-dihydroindole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,5-dimethyl-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]-2,3-dihydroindole-1-carboxylate Traditional Name: 3,5-dimethyl-2-[(E)-2-tosylvinyl]indoline-1-carboxylic acid benzyl ester Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C2=C1C=C(C=C2)C)C(=O)OCC3=CC=CC=C3)C=CS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1C(N(C2=C1C=C(C=C2)C)C(=O)OCC3=CC=CC=C3)/C=C/S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H27NO4S/c1-19-9-12-23(13-10-19)33(30,31)16-15-25-21(3)24-17-20(2)11-14-26(24)28(25)27(29)32-18-22-7-5-4-6-8-22/h4-17,21,25H,18H2,1-3H3/b16-15+