N-butyl-N-[2-(phenethylamino)ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-butyl-N-[2-(phenethylamino)ethyl]isoquinoline-5-sulfonamide Openeye Name: N-butyl-N-[2-(phenethylamino)ethyl]isoquinoline-5-sulfonamide CAS Name: N-butyl-N-[2-(phenethylamino)ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-butyl-N-[2-(phenethylamino)ethyl]isoquinoline-5-sulfonamide Traditional Name: N-butyl-N-[2-(phenethylamino)ethyl]isoquinoline-5-sulfonamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCNCCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCCN(CCNCCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C23H29N3O2S/c1-2-3-17-26(18-16-24-14-12-20-8-5-4-6-9-20)29(27,28)23-11-7-10-21-19-25-15-13-22(21)23/h4-11,13,15,19,24H,2-3,12,14,16-18H2,1H3