ethyl 4-[[2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]benzoate CAS Name: 4-[[[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]benzoate Traditional Name: 4-[[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]benzoic acid ethyl ester Formula: C25H23ClN2O5S MolecularWeight: 498.97852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C25H23ClN2O5S/c1-2-33-25(30)18-7-9-20(10-8-18)27-24(29)22-15-21(11-12-23(22)26)34(31,32)28-14-13-17-5-3-4-6-19(17)16-28/h3-12,15H,2,13-14,16H2,1H3,(H,27,29)