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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4S/c1-21(2)12-10-20-28(26,27)17-7-8-18(19(13-17)23(24)25)22-11-9-15-5-3-4-6-16(15)14-22/h3-8,13,20H,9-12,14H2,1-2H3