N-[[1-[2-(3H-inden-1-yl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[[1-[2-(3H-inden-1-yl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl]isoquinoline-5-sulfonamide Openeye Name: N-[[4-hydroxy-1-[2-(3H-inden-1-yl)ethyl]-4-piperidyl]methyl]isoquinoline-5-sulfonamide CAS Name: N-[[4-hydroxy-1-[2-(3H-inden-1-yl)ethyl]-4-piperidinyl]methyl]-5-isoquinolinesulfonamide IUPAC Name: N-[[4-hydroxy-1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]methyl]isoquinoline-5-sulfonamide Traditional Name: N-[[4-hydroxy-1-[2-(3H-inden-1-yl)ethyl]-4-piperidyl]methyl]isoquinoline-5-sulfonamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)O)CCC4=CCC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1(CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)O)CCC4=CCC5=CC=CC=C54

InChI

InChI=1S/C26H29N3O3S/c30-26(19-28-33(31,32)25-7-3-5-22-18-27-14-10-24(22)25)12-16-29(17-13-26)15-11-21-9-8-20-4-1-2-6-23(20)21/h1-7,9-10,14,18,28,30H,8,11-13,15-17,19H2