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

Systemtic Name: butyl 4-[[2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C27H27ClN2O5S MolecularWeight: 527.03168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN2O5S/c1-2-3-16-35-27(32)20-8-10-22(11-9-20)29-26(31)24-17-23(12-13-25(24)28)36(33,34)30-15-14-19-6-4-5-7-21(19)18-30/h4-13,17H,2-3,14-16,18H2,1H3,(H,29,31)