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

Systemtic Name: 3-cyanopropyl 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: 3-cyanopropyl 4-chloro-3-indolin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-indolin-1-ylsulfonyl-benzoic acid 3-cyanopropyl ester Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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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)OCCCC#N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O4S/c20-16-8-7-15(19(23)26-12-4-3-10-21)13-18(16)27(24,25)22-11-9-14-5-1-2-6-17(14)22/h1-2,5-8,13H,3-4,9,11-12H2