N-hexyl-1-isoquinolin-5-ylsulfonyl-N-methyl-piperidin-3-amine

Systemtic Name: N-hexyl-1-isoquinolin-5-ylsulfonyl-N-methyl-piperidin-3-amine Openeye Name: N-hexyl-1-(5-isoquinolylsulfonyl)-N-methyl-piperidin-3-amine CAS Name: N-hexyl-1-(5-isoquinolinylsulfonyl)-N-methyl-3-piperidinamine IUPAC Name: N-hexyl-1-isoquinolin-5-ylsulfonyl-N-methylpiperidin-3-amine Traditional Name: hexyl-[1-(5-isoquinolylsulfonyl)-3-piperidyl]-methyl-amine Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCCCCN(C)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H31N3O2S/c1-3-4-5-6-14-23(2)19-10-8-15-24(17-19)27(25,26)21-11-7-9-18-16-22-13-12-20(18)21/h7,9,11-13,16,19H,3-6,8,10,14-15,17H2,1-2H3