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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C25H23ClN2O5S/c1-33-25(30)19-8-6-17(7-9-19)15-27-24(29)22-14-21(10-11-23(22)26)34(31,32)28-13-12-18-4-2-3-5-20(18)16-28/h2-11,14H,12-13,15-16H2,1H3,(H,27,29)