1-(1-chloranylisoquinolin-5-yl)sulfonyl-N-(phenylmethyl)piperidin-4-amine

Systemtic Name: 1-(1-chloranylisoquinolin-5-yl)sulfonyl-N-(phenylmethyl)piperidin-4-amine Openeye Name: N-benzyl-1-[(1-chloro-5-isoquinolyl)sulfonyl]piperidin-4-amine CAS Name: 1-[(1-chloro-5-isoquinolinyl)sulfonyl]-N-(phenylmethyl)-4-piperidinamine IUPAC Name: N-benzyl-1-(1-chloroisoquinolin-5-yl)sulfonylpiperidin-4-amine Traditional Name: benzyl-[1-[(1-chloro-5-isoquinolyl)sulfonyl]-4-piperidyl]amine Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4Cl

Isomeric SMILES

C1CN(CCC1NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4Cl

InChI

InChI=1S/C21H22ClN3O2S/c22-21-19-7-4-8-20(18(19)9-12-23-21)28(26,27)25-13-10-17(11-14-25)24-15-16-5-2-1-3-6-16/h1-9,12,17,24H,10-11,13-15H2