N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCC2=CC=C(C=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCC2=CC=C(C=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H25N3O4S/c1-18-6-9-23(27(28)29)16-24(18)32(30,31)25-14-12-19-7-10-22(11-8-19)26-15-13-20-4-2-3-5-21(20)17-26/h2-11,16,25H,12-15,17H2,1H3