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

Systemtic Name: 1-azanyl-N-(3-azanylpropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide hydrochloride Openeye Name: 1-amino-N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide hydrochloride CAS Name: 1-amino-N-(3-aminopropyl)-N-(3-phenylpropyl)-5-isoquinolinesulfonamide hydrochloride IUPAC Name: 1-amino-N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide hydrochloride Traditional Name: 1-amino-N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide hydrochloride Formula: C21H27ClN4O2S MolecularWeight: 434.98268

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S.ClH/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);1H