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

Systemtic Name: 3-methyl-4-nitro-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 3-methyl-4-nitro-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 3-methyl-4-nitro-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide IUPAC Name: 3-methyl-4-nitro-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 3-methyl-4-nitro-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CS4)C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CS4)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5S2/c1-14-11-16(5-7-19(14)24(26)27)21(25)22-18-6-4-15-8-9-23(13-17(15)12-18)31(28,29)20-3-2-10-30-20/h2-7,10-12H,8-9,13H2,1H3,(H,22,25)