N-butyl-N-[2-(propylamino)octyl]isoquinoline-5-sulfonamide

Systemtic Name: N-butyl-N-[2-(propylamino)octyl]isoquinoline-5-sulfonamide Openeye Name: N-butyl-N-[2-(propylamino)octyl]isoquinoline-5-sulfonamide CAS Name: N-butyl-N-[2-(propylamino)octyl]-5-isoquinolinesulfonamide IUPAC Name: N-butyl-N-[2-(propylamino)octyl]isoquinoline-5-sulfonamide Traditional Name: N-butyl-N-[2-(propylamino)octyl]isoquinoline-5-sulfonamide Formula: C24H39N3O2S MolecularWeight: 433.65036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CN(CCCC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2)NCCC

Isomeric SMILES

CCCCCCC(CN(CCCC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2)NCCC

InChI

InChI=1S/C24H39N3O2S/c1-4-7-9-10-13-22(26-16-6-3)20-27(18-8-5-2)30(28,29)24-14-11-12-21-19-25-17-15-23(21)24/h11-12,14-15,17,19,22,26H,4-10,13,16,18,20H2,1-3H3