N-(3-azanylpropyl)-4-methyl-1-oxidanylidene-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide

Systemtic Name: N-(3-azanylpropyl)-4-methyl-1-oxidanylidene-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide Openeye Name: N-(3-aminopropyl)-4-methyl-1-oxo-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide CAS Name: N-(3-aminopropyl)-4-methyl-1-oxo-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide IUPAC Name: N-(3-aminopropyl)-4-methyl-1-oxo-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide Traditional Name: N-(3-aminopropyl)-1-keto-4-methyl-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)N(CCCC3=CC=CC=C3)CCCN

Isomeric SMILES

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)N(CCCC3=CC=CC=C3)CCCN

InChI

InChI=1S/C22H27N3O3S/c1-17-16-24-22(26)19-11-5-12-20(21(17)19)29(27,28)25(15-7-13-23)14-6-10-18-8-3-2-4-9-18/h2-5,8-9,11-12,16H,6-7,10,13-15,23H2,1H3,(H,24,26)