1-cyanoethyl 2-chloranyl-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: 1-cyanoethyl 2-chloranyl-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: 1-cyanoethyl 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid 1-cyanoethyl ester Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)Cl

Isomeric SMILES

CC(C#N)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)Cl

InChI

InChI=1S/C19H17ClN2O4S/c1-13(12-21)26-19(23)16-11-15(8-9-17(16)20)27(24,25)22-10-4-6-14-5-2-3-7-18(14)22/h2-3,5,7-9,11,13H,4,6,10H2,1H3