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

Systemtic Name: 1-azanyl-N-(2-azanylethyl)-N-[2-(phenylsulfonyl)ethyl]isoquinoline-5-sulfonamide Openeye Name: 1-amino-N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]isoquinoline-5-sulfonamide CAS Name: 1-amino-N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]-5-isoquinolinesulfonamide IUPAC Name: 1-amino-N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]isoquinoline-5-sulfonamide Traditional Name: 1-amino-N-(2-aminoethyl)-N-(2-besylethyl)isoquinoline-5-sulfonamide Formula: C19H22N4O4S2 MolecularWeight: 434.53238

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4S2/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)