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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(3-nitrophenyl)thiazol-2-yl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(3-nitrophenyl)-2-thiazolyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(3-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(=CC=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(=CC=C5)[N+](=O)[O-]

InChI

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