tert-butyl 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]-3-phenyl-propanoate CAS Name: 2-[(1,4-dichloro-7-isoquinolinyl)sulfonylamino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1,4-dichloroisoquinolin-7-yl)sulfonylamino]-3-phenylpropanoate Traditional Name: 2-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]-3-phenyl-propionic acid tert-butyl ester Formula: C22H22Cl2N2O4S MolecularWeight: 481.39208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

InChI

InChI=1S/C22H22Cl2N2O4S/c1-22(2,3)30-21(27)19(11-14-7-5-4-6-8-14)26-31(28,29)15-9-10-16-17(12-15)20(24)25-13-18(16)23/h4-10,12-13,19,26H,11H2,1-3H3