N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-3-nitro-benzamide

Systemtic Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-3-nitro-benzamide Openeye Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-3-nitro-benzamide CAS Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-3-nitrobenzamide IUPAC Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-3-nitrobenzamide Traditional Name: N-(2-esyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-3-nitro-benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H21N3O5S/c1-3-28(26,27)21-10-9-14-7-8-16(11-15(14)12-21)20-19(23)17-5-4-6-18(13(17)2)22(24)25/h4-8,11H,3,9-10,12H2,1-2H3,(H,20,23)