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

Systemtic Name: N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitro-benzenesulfonamide Openeye Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitro-benzenesulfonamide CAS Name: N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-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(14-4-5-14)21-9-8-13-6-7-16(10-15(13)12-21)20-28(26,27)18-3-1-2-17(11-18)22(24)25/h1-3,6-7,10-11,14,20H,4-5,8-9,12H2