N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-nitro-benzenesulfonamide

Systemtic Name: N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-nitro-benzenesulfonamide Openeye Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitro-benzenesulfonamide CAS Name: N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitro-benzenesulfonamide Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC3=C(C2)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)N2CCC3=C(C2)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5S/c23-19(14-5-6-14)21-10-9-13-7-8-16(11-15(13)12-21)20-28(26,27)18-4-2-1-3-17(18)22(24)25/h1-4,7-8,11,14,20H,5-6,9-10,12H2