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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-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)22-12-10-20(11-13-22)25(28-15-14-19-6-3-4-7-21(19)18-28)17-26-34(32,33)24-9-5-8-23(16-24)29(30)31/h3-13,16,25-26H,14-15,17-18H2,1-2H3