1-(1-chloranylisoquinolin-5-yl)sulfonyl-N-hexyl-N-methyl-piperidin-3-amine

Systemtic Name: 1-(1-chloranylisoquinolin-5-yl)sulfonyl-N-hexyl-N-methyl-piperidin-3-amine Openeye Name: 1-[(1-chloro-5-isoquinolyl)sulfonyl]-N-hexyl-N-methyl-piperidin-3-amine CAS Name: 1-[(1-chloro-5-isoquinolinyl)sulfonyl]-N-hexyl-N-methyl-3-piperidinamine IUPAC Name: 1-(1-chloroisoquinolin-5-yl)sulfonyl-N-hexyl-N-methylpiperidin-3-amine Traditional Name: [1-[(1-chloro-5-isoquinolyl)sulfonyl]-3-piperidyl]-hexyl-methyl-amine Formula: C21H30ClN3O2S MolecularWeight: 423.9998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3Cl

Isomeric SMILES

CCCCCCN(C)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3Cl

InChI

InChI=1S/C21H30ClN3O2S/c1-3-4-5-6-14-24(2)17-9-8-15-25(16-17)28(26,27)20-11-7-10-19-18(20)12-13-23-21(19)22/h7,10-13,17H,3-6,8-9,14-16H2,1-2H3