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

Systemtic Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-nitro-benzamide Openeye Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-nitro-benzamide CAS Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-nitrobenzamide IUPAC Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-nitrobenzamide Traditional Name: N-(2-esyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-nitro-benzamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-2-27(25,26)20-10-9-13-3-6-16(11-15(13)12-20)19-18(22)14-4-7-17(8-5-14)21(23)24/h3-8,11H,2,9-10,12H2,1H3,(H,19,22)