2-decyl-4-(1H-indol-3-ylmethyl)-3-(4-methylphenyl)sulfonyl-1,3,2-oxazaborolidin-5-one

Systemtic Name: 2-decyl-4-(1H-indol-3-ylmethyl)-3-(4-methylphenyl)sulfonyl-1,3,2-oxazaborolidin-5-one Openeye Name: 2-decyl-4-(1H-indol-3-ylmethyl)-3-(p-tolylsulfonyl)-1,3,2-oxazaborolidin-5-one CAS Name: 2-decyl-4-(1H-indol-3-ylmethyl)-3-(4-methylphenyl)sulfonyl-1,3,2-oxazaborolidin-5-one IUPAC Name: 2-decyl-4-(1H-indol-3-ylmethyl)-3-(4-methylphenyl)sulfonyl-1,3,2-oxazaborolidin-5-one Traditional Name: 2-decyl-4-(1H-indol-3-ylmethyl)-3-tosyl-1,3,2-oxazaborolidin-5-one Formula: C28H37BN2O4S MolecularWeight: 508.48038

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Descriptors Computed from Structure

Canonical SMILES:

B1(N(C(C(=O)O1)CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C)CCCCCCCCCC

Isomeric SMILES

B1(N(C(C(=O)O1)CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C)CCCCCCCCCC

InChI

InChI=1S/C28H37BN2O4S/c1-3-4-5-6-7-8-9-12-19-29-31(36(33,34)24-17-15-22(2)16-18-24)27(28(32)35-29)20-23-21-30-26-14-11-10-13-25(23)26/h10-11,13-18,21,27,30H,3-9,12,19-20H2,1-2H3