N-(1-azanyldodecyl)-N-hexyl-isoquinoline-5-sulfonamide

Systemtic Name: N-(1-azanyldodecyl)-N-hexyl-isoquinoline-5-sulfonamide Openeye Name: N-(1-aminododecyl)-N-hexyl-isoquinoline-5-sulfonamide CAS Name: N-(1-aminododecyl)-N-hexyl-5-isoquinolinesulfonamide IUPAC Name: N-(1-aminododecyl)-N-hexylisoquinoline-5-sulfonamide Traditional Name: N-(1-aminododecyl)-N-hexyl-isoquinoline-5-sulfonamide Formula: C27H45N3O2S MolecularWeight: 475.7301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(N)N(CCCCCC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CCCCCCCCCCCC(N)N(CCCCCC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C27H45N3O2S/c1-3-5-7-9-10-11-12-13-14-19-27(28)30(22-15-8-6-4-2)33(31,32)26-18-16-17-24-23-29-21-20-25(24)26/h16-18,20-21,23,27H,3-15,19,22,28H2,1-2H3