1-isoquinolin-5-ylsulfonyl-N-(phenylmethyl)piperidin-3-amine

Systemtic Name: 1-isoquinolin-5-ylsulfonyl-N-(phenylmethyl)piperidin-3-amine Openeye Name: N-benzyl-1-(5-isoquinolylsulfonyl)piperidin-3-amine CAS Name: 1-(5-isoquinolinylsulfonyl)-N-(phenylmethyl)-3-piperidinamine IUPAC Name: N-benzyl-1-isoquinolin-5-ylsulfonylpiperidin-3-amine Traditional Name: benzyl-[1-(5-isoquinolylsulfonyl)-3-piperidyl]amine Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)NCC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S/c25-27(26,21-10-4-8-18-15-22-12-11-20(18)21)24-13-5-9-19(16-24)23-14-17-6-2-1-3-7-17/h1-4,6-8,10-12,15,19,23H,5,9,13-14,16H2