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

Systemtic Name: 4-chloranyl-N-(2-methoxyethyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-(2-methoxyethyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-(2-methoxyethyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-(2-methoxyethyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-N-(2-methoxyethyl)-3-nitro-benzenesulfonamide Formula: C21H24ClN3O6S MolecularWeight: 481.94976

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O6S/c1-15-18-6-4-3-5-16(18)9-10-24(15)21(26)14-23(11-12-31-2)32(29,30)17-7-8-19(22)20(13-17)25(27)28/h3-8,13,15H,9-12,14H2,1-2H3