3-(phenylmethyl)-1-[2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide

Systemtic Name: 3-(phenylmethyl)-1-[2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide Openeye Name: 3-benzyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide CAS Name: 3-(phenylmethyl)-1-[2-(4-phenyl-1-piperazinyl)ethyl]-5-isoquinolinesulfonamide IUPAC Name: 3-benzyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide Traditional Name: 3-benzyl-1-[2-(4-phenylpiperazino)ethyl]isoquinoline-5-sulfonamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=C3C=CC=C(C3=CC(=N2)CC4=CC=CC=C4)S(=O)(=O)N)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCC2=C3C=CC=C(C3=CC(=N2)CC4=CC=CC=C4)S(=O)(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2S/c29-35(33,34)28-13-7-12-25-26(28)21-23(20-22-8-3-1-4-9-22)30-27(25)14-15-31-16-18-32(19-17-31)24-10-5-2-6-11-24/h1-13,21H,14-20H2,(H2,29,33,34)