phenacyl 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: phenacyl 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: phenacyl 4-chloro-3-indolin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid phenacyl ester IUPAC Name: phenacyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-indolin-1-ylsulfonyl-benzoic acid phenacyl ester Formula: C23H18ClNO5S MolecularWeight: 455.91072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H18ClNO5S/c24-19-11-10-18(23(27)30-15-21(26)17-7-2-1-3-8-17)14-22(19)31(28,29)25-13-12-16-6-4-5-9-20(16)25/h1-11,14H,12-13,15H2