(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(2-methylindolin-1-yl)sulfonylbenzoate CAS Name: 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate Traditional Name: 3-(2-methylindolin-1-yl)sulfonylbenzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C29H33NO4S MolecularWeight: 491.64162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=C(C=C(C=C4C)C(C)(C)C)C

Isomeric SMILES

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=C(C=C(C=C4C)C(C)(C)C)C

InChI

InChI=1S/C29H33NO4S/c1-19-14-24(29(4,5)6)15-20(2)26(19)18-34-28(31)23-11-9-12-25(17-23)35(32,33)30-21(3)16-22-10-7-8-13-27(22)30/h7-15,17,21H,16,18H2,1-6H3