(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-indolin-1-ylsulfonylbenzoate CAS Name: 3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 3-indolin-1-ylsulfonylbenzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C28H31NO4S MolecularWeight: 477.61504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43)C)C(C)(C)C

InChI

InChI=1S/C28H31NO4S/c1-19-15-23(28(3,4)5)16-20(2)25(19)18-33-27(30)22-10-8-11-24(17-22)34(31,32)29-14-13-21-9-6-7-12-26(21)29/h6-12,15-17H,13-14,18H2,1-5H3