N-(3-azanylpropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide

Systemtic Name: N-(3-azanylpropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide Openeye Name: N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide CAS Name: N-(3-aminopropyl)-N-(3-phenylpropyl)-5-isoquinolinesulfonamide IUPAC Name: N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide Traditional Name: N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN(CCCN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCN(CCCN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H25N3O2S/c22-13-6-16-24(15-5-9-18-7-2-1-3-8-18)27(25,26)21-11-4-10-19-17-23-14-12-20(19)21/h1-4,7-8,10-12,14,17H,5-6,9,13,15-16,22H2