2-isoquinolin-5-ylsulfonyl-N-(3-phenylpropyl)piperidin-1-amine

Systemtic Name: 2-isoquinolin-5-ylsulfonyl-N-(3-phenylpropyl)piperidin-1-amine Openeye Name: 2-(5-isoquinolylsulfonyl)-N-(3-phenylpropyl)piperidin-1-amine CAS Name: 2-(5-isoquinolinylsulfonyl)-N-(3-phenylpropyl)-1-piperidinamine IUPAC Name: 2-isoquinolin-5-ylsulfonyl-N-(3-phenylpropyl)piperidin-1-amine Traditional Name: [2-(5-isoquinolylsulfonyl)piperidino]-(3-phenylpropyl)amine Formula: C23H27N3O2S MolecularWeight: 409.54438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)NCCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)NCCCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S/c27-29(28,22-12-6-11-20-18-24-16-14-21(20)22)23-13-4-5-17-26(23)25-15-7-10-19-8-2-1-3-9-19/h1-3,6,8-9,11-12,14,16,18,23,25H,4-5,7,10,13,15,17H2