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

Systemtic Name: N-(3-azanylpropyl)-4-methyl-1-oxidanylidene-N-[2-(phenylsulfonyl)ethyl]-2H-isoquinoline-5-sulfonamide Openeye Name: N-(3-aminopropyl)-N-[2-(benzenesulfonyl)ethyl]-4-methyl-1-oxo-2H-isoquinoline-5-sulfonamide CAS Name: N-(3-aminopropyl)-N-[2-(benzenesulfonyl)ethyl]-4-methyl-1-oxo-2H-isoquinoline-5-sulfonamide IUPAC Name: N-(3-aminopropyl)-N-[2-(benzenesulfonyl)ethyl]-4-methyl-1-oxo-2H-isoquinoline-5-sulfonamide Traditional Name: N-(3-aminopropyl)-N-(2-besylethyl)-1-keto-4-methyl-2H-isoquinoline-5-sulfonamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S2/c1-16-15-23-21(25)18-9-5-10-19(20(16)18)31(28,29)24(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,(H,23,25)