N-(3-azanylpropyl)-N-[2-(phenylsulfonyl)ethyl]isoquinoline-5-sulfonamide hydrochloride

Systemtic Name: N-(3-azanylpropyl)-N-[2-(phenylsulfonyl)ethyl]isoquinoline-5-sulfonamide hydrochloride Openeye Name: N-(3-aminopropyl)-N-[2-(benzenesulfonyl)ethyl]isoquinoline-5-sulfonamide hydrochloride CAS Name: N-(3-aminopropyl)-N-[2-(benzenesulfonyl)ethyl]-5-isoquinolinesulfonamide hydrochloride IUPAC Name: N-(3-aminopropyl)-N-[2-(benzenesulfonyl)ethyl]isoquinoline-5-sulfonamide hydrochloride Traditional Name: N-(3-aminopropyl)-N-(2-besylethyl)isoquinoline-5-sulfonamide hydrochloride Formula: C20H24ClN3O4S2 MolecularWeight: 470.00526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S2.ClH/c21-11-5-13-23(14-15-28(24,25)18-7-2-1-3-8-18)29(26,27)20-9-4-6-17-16-22-12-10-19(17)20;/h1-4,6-10,12,16H,5,11,13-15,21H2;1H