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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-nitrophenyl)thiazol-2-yl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-nitrophenyl)-2-thiazolyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-nitrophenyl)thiazol-2-yl]benzamide Formula: C25H20N4O5S2 MolecularWeight: 520.5801

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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=C(C=C5)[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=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O5S2/c30-24(27-25-26-23(16-35-25)18-5-9-21(10-6-18)29(31)32)19-7-11-22(12-8-19)36(33,34)28-14-13-17-3-1-2-4-20(17)15-28/h1-12,16H,13-15H2,(H,26,27,30)