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

Systemtic Name: N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-nitro-benzenesulfonamide CAS Name: N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-nitrobenzenesulfonamide Traditional Name: N-butyl-N-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-nitro-benzenesulfonamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5S/c1-3-4-14-23(31(29,30)20-11-9-19(10-12-20)25(27)28)16-22(26)24-15-13-18-7-5-6-8-21(18)17(24)2/h5-12,17H,3-4,13-16H2,1-2H3