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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC3=CC=CC=C3C2)C4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC3=CC=CC=C3C2)C4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O6S/c1-18-7-12-23(15-24(18)28(30)31)35(32,33)27(21-8-10-22(34-2)11-9-21)17-25(29)26-14-13-19-5-3-4-6-20(19)16-26/h3-12,15H,13-14,16-17H2,1-2H3