N-[3-(3H-inden-1-yl)-1-piperidin-4-yl-propyl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[3-(3H-inden-1-yl)-1-piperidin-4-yl-propyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[3-(3H-inden-1-yl)-1-(4-piperidyl)propyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[3-(3H-inden-1-yl)-1-(4-piperidinyl)propyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[3-(3H-inden-1-yl)-1-piperidin-4-ylpropyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[3-(3H-inden-1-yl)-1-(4-piperidyl)propyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C27H31N3O2S MolecularWeight: 461.61894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCC1=CCC2=CC=CC=C21)C3CCNCC3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(C(CCC1=CCC2=CC=CC=C21)C3CCNCC3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C27H31N3O2S/c1-30(33(31,32)27-8-4-6-23-19-29-18-15-25(23)27)26(22-13-16-28-17-14-22)12-11-21-10-9-20-5-2-3-7-24(20)21/h2-8,10,15,18-19,22,26,28H,9,11-14,16-17H2,1H3