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

Systemtic Name: (4-cyanophenyl)methyl 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: (4-cyanophenyl)methyl 4-chloro-3-indolin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-indolin-1-ylsulfonyl-benzoic acid (4-cyanobenzyl) ester Formula: C23H17ClN2O4S MolecularWeight: 452.91008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C23H17ClN2O4S/c24-20-10-9-19(23(27)30-15-17-7-5-16(14-25)6-8-17)13-22(20)31(28,29)26-12-11-18-3-1-2-4-21(18)26/h1-10,13H,11-12,15H2