(4-bromophenyl)methyl 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (4-bromophenyl)methyl 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (4-bromophenyl)methyl 5-indolin-1-ylsulfonyl-2-methoxy-benzoate CAS Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-indolin-1-ylsulfonyl-2-methoxy-benzoic acid (4-bromobenzyl) ester Formula: C23H20BrNO5S MolecularWeight: 502.3776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)OCC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)OCC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H20BrNO5S/c1-29-22-11-10-19(31(27,28)25-13-12-17-4-2-3-5-21(17)25)14-20(22)23(26)30-15-16-6-8-18(24)9-7-16/h2-11,14H,12-13,15H2,1H3