ethyl 1-[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylazetidine-3-carboxylate

Systemtic Name: ethyl 1-[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylazetidine-3-carboxylate Openeye Name: ethyl 1-[(1,4-dichloro-7-isoquinolyl)sulfonyl]azetidine-3-carboxylate CAS Name: 1-[(1,4-dichloro-7-isoquinolinyl)sulfonyl]-3-azetidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,4-dichloroisoquinolin-7-yl)sulfonylazetidine-3-carboxylate Traditional Name: 1-[(1,4-dichloro-7-isoquinolyl)sulfonyl]azetidine-3-carboxylic acid ethyl ester Formula: C15H14Cl2N2O4S MolecularWeight: 389.25366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

Isomeric SMILES

CCOC(=O)C1CN(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

InChI

InChI=1S/C15H14Cl2N2O4S/c1-2-23-15(20)9-7-19(8-9)24(21,22)10-3-4-11-12(5-10)14(17)18-6-13(11)16/h3-6,9H,2,7-8H2,1H3