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

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O5S/c1-16-6-11-21(14-22(16)26(28)29)32(30,31)24-20-9-7-18(8-10-20)23(27)25-13-12-17-4-2-3-5-19(17)15-25/h2-11,14,24H,12-13,15H2,1H3