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

Systemtic Name: N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzenesulfonamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4S/c1-19(2,3)20-27(25,26)16-8-9-17(18(12-16)22(23)24)21-11-10-14-6-4-5-7-15(14)13-21/h4-9,12,20H,10-11,13H2,1-3H3