1-azanyl-N-(2-azanylethyl)-N-[2-(phenylsulfonyl)ethyl]isoquinoline-5-sulfonamide hydrochloride

Systemtic Name: 1-azanyl-N-(2-azanylethyl)-N-[2-(phenylsulfonyl)ethyl]isoquinoline-5-sulfonamide hydrochloride Openeye Name: 1-amino-N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]isoquinoline-5-sulfonamide hydrochloride CAS Name: 1-amino-N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]-5-isoquinolinesulfonamide hydrochloride IUPAC Name: 1-amino-N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]isoquinoline-5-sulfonamide hydrochloride Traditional Name: 1-amino-N-(2-aminoethyl)-N-(2-besylethyl)isoquinoline-5-sulfonamide hydrochloride Formula: C19H23ClN4O4S2 MolecularWeight: 470.99332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4S2.ClH/c20-10-12-23(13-14-28(24,25)15-5-2-1-3-6-15)29(26,27)18-8-4-7-17-16(18)9-11-22-19(17)21;/h1-9,11H,10,12-14,20H2,(H2,21,22);1H