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

Systemtic Name: 1-azanyl-N-(3-azanylpropyl)-N-[2-(phenylsulfonyl)ethyl]isoquinoline-5-sulfonamide Openeye Name: 1-amino-N-(3-aminopropyl)-N-[2-(benzenesulfonyl)ethyl]isoquinoline-5-sulfonamide CAS Name: 1-amino-N-(3-aminopropyl)-N-[2-(benzenesulfonyl)ethyl]-5-isoquinolinesulfonamide IUPAC Name: 1-amino-N-(3-aminopropyl)-N-[2-(benzenesulfonyl)ethyl]isoquinoline-5-sulfonamide Traditional Name: 1-amino-N-(3-aminopropyl)-N-(2-besylethyl)isoquinoline-5-sulfonamide Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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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=C3N

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S2/c21-11-5-13-24(14-15-29(25,26)16-6-2-1-3-7-16)30(27,28)19-9-4-8-18-17(19)10-12-23-20(18)22/h1-4,6-10,12H,5,11,13-15,21H2,(H2,22,23)