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

Systemtic Name: 1-azanyl-N-(3-azanylpropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide Openeye Name: 1-amino-N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide CAS Name: 1-amino-N-(3-aminopropyl)-N-(3-phenylpropyl)-5-isoquinolinesulfonamide IUPAC Name: 1-amino-N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide Traditional Name: 1-amino-N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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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=C3N

Isomeric SMILES

C1=CC=C(C=C1)CCCN(CCCN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3N

InChI

InChI=1S/C21H26N4O2S/c22-13-6-16-25(15-5-9-17-7-2-1-3-8-17)28(26,27)20-11-4-10-19-18(20)12-14-24-21(19)23/h1-4,7-8,10-12,14H,5-6,9,13,15-16,22H2,(H2,23,24)