ethyl 1-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonyl-methyl-amino]cyclopentane-1-carboxylate

Systemtic Name: ethyl 1-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonyl-methyl-amino]cyclopentane-1-carboxylate Openeye Name: ethyl 1-[(1,4-dichloro-7-isoquinolyl)sulfonyl-methyl-amino]cyclopentanecarboxylate CAS Name: 1-[(1,4-dichloro-7-isoquinolinyl)sulfonyl-methylamino]-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1,4-dichloroisoquinolin-7-yl)sulfonyl-methylamino]cyclopentane-1-carboxylate Traditional Name: 1-[(1,4-dichloro-7-isoquinolyl)sulfonyl-methyl-amino]cyclopentanecarboxylic acid ethyl ester Formula: C18H20Cl2N2O4S MolecularWeight: 431.3334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC1)N(C)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

Isomeric SMILES

CCOC(=O)C1(CCCC1)N(C)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

InChI

InChI=1S/C18H20Cl2N2O4S/c1-3-26-17(23)18(8-4-5-9-18)22(2)27(24,25)12-6-7-13-14(10-12)16(20)21-11-15(13)19/h6-7,10-11H,3-5,8-9H2,1-2H3