4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-nitro-2-thienyl)thiazol-2-yl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-nitro-2-thiophenyl)-2-thiazolyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-nitro-2-thienyl)thiazol-2-yl]benzamide Formula: C23H18N4O5S3 MolecularWeight: 526.60782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NC(=CS4)C5=CC(=CS5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NC(=CS4)C5=CC(=CS5)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O5S3/c28-22(25-23-24-20(14-34-23)21-11-18(13-33-21)27(29)30)16-5-7-19(8-6-16)35(31,32)26-10-9-15-3-1-2-4-17(15)12-26/h1-8,11,13-14H,9-10,12H2,(H,24,25,28)