1-isoquinolin-5-ylsulfonyl-3-phenyl-piperidin-2-amine

Systemtic Name: 1-isoquinolin-5-ylsulfonyl-3-phenyl-piperidin-2-amine Openeye Name: 1-(5-isoquinolylsulfonyl)-3-phenyl-piperidin-2-amine CAS Name: 1-(5-isoquinolinylsulfonyl)-3-phenyl-2-piperidinamine IUPAC Name: 1-isoquinolin-5-ylsulfonyl-3-phenylpiperidin-2-amine Traditional Name: [1-(5-isoquinolylsulfonyl)-3-phenyl-2-piperidyl]amine Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)N)C4=CC=CC=C4

Isomeric SMILES

C1CC(C(N(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)N)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2S/c21-20-18(15-6-2-1-3-7-15)9-5-13-23(20)26(24,25)19-10-4-8-16-14-22-12-11-17(16)19/h1-4,6-8,10-12,14,18,20H,5,9,13,21H2