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

Systemtic Name: N-(2-azanylethyl)-N-[2-(phenylsulfonyl)ethyl]isoquinoline-5-sulfonamide hydrochloride Openeye Name: N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]isoquinoline-5-sulfonamide hydrochloride CAS Name: N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]-5-isoquinolinesulfonamide hydrochloride IUPAC Name: N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]isoquinoline-5-sulfonamide hydrochloride Traditional Name: N-(2-aminoethyl)-N-(2-besylethyl)isoquinoline-5-sulfonamide hydrochloride Formula: C19H22ClN3O4S2 MolecularWeight: 455.97868

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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=C3.Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S2.ClH/c20-10-12-22(13-14-27(23,24)17-6-2-1-3-7-17)28(25,26)19-8-4-5-16-15-21-11-9-18(16)19;/h1-9,11,15H,10,12-14,20H2;1H