4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5S/c1-30-19-8-6-18(7-9-19)23-31(28,29)20-10-11-21(22(14-20)25(26)27)24-13-12-16-4-2-3-5-17(16)15-24/h2-11,14,23H,12-13,15H2,1H3