1-azanyl-N-(2-azanylethyl)-4-methyl-N-[2-(phenylsulfonyl)ethyl]isoquinoline-5-sulfonamide

Systemtic Name: 1-azanyl-N-(2-azanylethyl)-4-methyl-N-[2-(phenylsulfonyl)ethyl]isoquinoline-5-sulfonamide Openeye Name: 1-amino-N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]-4-methyl-isoquinoline-5-sulfonamide CAS Name: 1-amino-N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]-4-methyl-5-isoquinolinesulfonamide IUPAC Name: 1-amino-N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]-4-methylisoquinoline-5-sulfonamide Traditional Name: 1-amino-N-(2-aminoethyl)-N-(2-besylethyl)-4-methyl-isoquinoline-5-sulfonamide Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C2=C1C(=CC=C2)S(=O)(=O)N(CCN)CCS(=O)(=O)C3=CC=CC=C3)N

Isomeric SMILES

CC1=CN=C(C2=C1C(=CC=C2)S(=O)(=O)N(CCN)CCS(=O)(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C20H24N4O4S2/c1-15-14-23-20(22)17-8-5-9-18(19(15)17)30(27,28)24(11-10-21)12-13-29(25,26)16-6-3-2-4-7-16/h2-9,14H,10-13,21H2,1H3,(H2,22,23)