[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 5-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-2-oxidanyl-benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 5-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-2-oxidanyl-benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 5-[(4-chloro-3-nitro-phenyl)sulfonylamino]-2-hydroxy-benzoate CAS Name: 5-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-hydroxybenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 5-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-hydroxybenzoate Traditional Name: 5-[(4-chloro-3-nitro-phenyl)sulfonylamino]-2-hydroxy-benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C24H20ClN3O8S MolecularWeight: 545.9489

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=C(C=CC(=C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=C(C=CC(=C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])O

InChI

InChI=1S/C24H20ClN3O8S/c25-20-7-6-18(12-21(20)28(32)33)37(34,35)26-17-5-8-22(29)19(11-17)24(31)36-14-23(30)27-10-9-15-3-1-2-4-16(15)13-27/h1-8,11-12,26,29H,9-10,13-14H2