1-[(4-bromanyl-1-chloranyl-isoquinolin-7-yl)sulfonyl-(2-dimethylaminoethyl)amino]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[(4-bromanyl-1-chloranyl-isoquinolin-7-yl)sulfonyl-(2-dimethylaminoethyl)amino]cyclopentane-1-carboxylic acid Openeye Name: 1-[(4-bromo-1-chloro-7-isoquinolyl)sulfonyl-(2-dimethylaminoethyl)amino]cyclopentanecarboxylic acid CAS Name: 1-[(4-bromo-1-chloro-7-isoquinolinyl)sulfonyl-(2-dimethylaminoethyl)amino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[(4-bromo-1-chloroisoquinolin-7-yl)sulfonyl-(2-dimethylaminoethyl)amino]cyclopentane-1-carboxylic acid Traditional Name: 1-[(4-bromo-1-chloro-7-isoquinolyl)sulfonyl-(2-dimethylaminoethyl)amino]cyclopentanecarboxylic acid Formula: C19H23BrClN3O4S MolecularWeight: 504.82562

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1(CCCC1)C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Br

Isomeric SMILES

CN(C)CCN(C1(CCCC1)C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Br

InChI

InChI=1S/C19H23BrClN3O4S/c1-23(2)9-10-24(19(18(25)26)7-3-4-8-19)29(27,28)13-5-6-14-15(11-13)17(21)22-12-16(14)20/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,25,26)