N-(2-methoxyethyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-(2-methoxyethyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-(2-methoxyethyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-nitro-benzenesulfonamide CAS Name: N-(2-methoxyethyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-(2-methoxyethyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-N-(2-methoxyethyl)-4-nitro-benzenesulfonamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2CCN1C(=O)CN(CCOC)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1C2=CC=CC=C2CCN1C(=O)CN(CCOC)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-16-20-6-4-3-5-17(20)11-12-23(16)21(25)15-22(13-14-30-2)31(28,29)19-9-7-18(8-10-19)24(26)27/h3-10,16H,11-15H2,1-2H3