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

Systemtic Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-4-nitro-benzenesulfonamide Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=CC=C(C=C3)CCNS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=CC=C(C=C3)CCNS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O4S/c27-26(28)22-9-11-23(12-10-22)31(29,30)24-15-13-18-5-7-21(8-6-18)25-16-14-19-3-1-2-4-20(19)17-25/h1-12,24H,13-17H2