N-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-N-propyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-N-propyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-N-propyl-isoquinoline-5-sulfonamide CAS Name: N-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-N-propyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-propylisoquinoline-5-sulfonamide Traditional Name: N-[2-(4-benzylpiperidino)-2-keto-ethyl]-N-propyl-isoquinoline-5-sulfonamide Formula: C26H31N3O3S MolecularWeight: 465.60764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N1CCC(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCCN(CC(=O)N1CCC(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H31N3O3S/c1-2-15-29(33(31,32)25-10-6-9-23-19-27-14-11-24(23)25)20-26(30)28-16-12-22(13-17-28)18-21-7-4-3-5-8-21/h3-11,14,19,22H,2,12-13,15-18,20H2,1H3