tert-butyl 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonyl-(pyridin-4-ylmethyl)amino]ethanoate

Systemtic Name: tert-butyl 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonyl-(pyridin-4-ylmethyl)amino]ethanoate Openeye Name: tert-butyl 2-[(1,4-dichloro-7-isoquinolyl)sulfonyl-(4-pyridylmethyl)amino]acetate CAS Name: 2-[(1,4-dichloro-7-isoquinolinyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1,4-dichloroisoquinolin-7-yl)sulfonyl-(pyridin-4-ylmethyl)amino]acetate Traditional Name: 2-[(1,4-dichloro-7-isoquinolyl)sulfonyl-(4-pyridylmethyl)amino]acetic acid tert-butyl ester Formula: C21H21Cl2N3O4S MolecularWeight: 482.38014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N3O4S/c1-21(2,3)30-19(27)13-26(12-14-6-8-24-9-7-14)31(28,29)15-4-5-16-17(10-15)20(23)25-11-18(16)22/h4-11H,12-13H2,1-3H3