2-oxidanylidenepropyl 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: 2-oxidanylidenepropyl 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: acetonyl 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid acetonyl ester Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)Cl

Isomeric SMILES

CC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)Cl

InChI

InChI=1S/C19H18ClNO5S/c1-13(22)12-26-19(23)17-10-16(6-7-18(17)20)27(24,25)21-9-8-14-4-2-3-5-15(14)11-21/h2-7,10H,8-9,11-12H2,1H3