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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-2-nitro-benzenesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-2-nitro-benzenesulfonamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H28N4O4S/c1-27(2)22-13-11-20(12-14-22)24(28-16-15-19-7-3-4-8-21(19)18-28)17-26-34(32,33)25-10-6-5-9-23(25)29(30)31/h3-14,24,26H,15-18H2,1-2H3