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

Systemtic Name: N-(3-azanylpropyl)-1-oxidanylidene-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide Openeye Name: N-(3-aminopropyl)-1-oxo-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide CAS Name: N-(3-aminopropyl)-1-oxo-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide IUPAC Name: N-(3-aminopropyl)-1-oxo-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide Traditional Name: N-(3-aminopropyl)-1-keto-N-(3-phenylpropyl)-2H-isoquinoline-5-sulfonamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN(CCCN)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

Isomeric SMILES

C1=CC=C(C=C1)CCCN(CCCN)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

InChI

InChI=1S/C21H25N3O3S/c22-13-6-16-24(15-5-9-17-7-2-1-3-8-17)28(26,27)20-11-4-10-19-18(20)12-14-23-21(19)25/h1-4,7-8,10-12,14H,5-6,9,13,15-16,22H2,(H,23,25)