(4-tert-butylphenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: (4-tert-butylphenyl)methyl 3-indolin-1-ylsulfonylbenzoate CAS Name: 3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 3-indolin-1-ylsulfonylbenzoic acid (4-tert-butylbenzyl) ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C26H27NO4S/c1-26(2,3)22-13-11-19(12-14-22)18-31-25(28)21-8-6-9-23(17-21)32(29,30)27-16-15-20-7-4-5-10-24(20)27/h4-14,17H,15-16,18H2,1-3H3