1-azanyl-N-(3-azanylpropyl)-4-methyl-N-[2-(phenylsulfonyl)ethyl]isoquinoline-5-sulfonamide

Systemtic Name: 1-azanyl-N-(3-azanylpropyl)-4-methyl-N-[2-(phenylsulfonyl)ethyl]isoquinoline-5-sulfonamide Openeye Name: 1-amino-N-(3-aminopropyl)-N-[2-(benzenesulfonyl)ethyl]-4-methyl-isoquinoline-5-sulfonamide CAS Name: 1-amino-N-(3-aminopropyl)-N-[2-(benzenesulfonyl)ethyl]-4-methyl-5-isoquinolinesulfonamide IUPAC Name: 1-amino-N-(3-aminopropyl)-N-[2-(benzenesulfonyl)ethyl]-4-methylisoquinoline-5-sulfonamide Traditional Name: 1-amino-N-(3-aminopropyl)-N-(2-besylethyl)-4-methyl-isoquinoline-5-sulfonamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S2/c1-16-15-24-21(23)18-9-5-10-19(20(16)18)31(28,29)25(12-6-11-22)13-14-30(26,27)17-7-3-2-4-8-17/h2-5,7-10,15H,6,11-14,22H2,1H3,(H2,23,24)