4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(4-nitrophenyl)sulfonylthiazol-2-yl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-nosylthiazol-2-yl)benzamide Formula: C25H20N4O7S3 MolecularWeight: 584.6439

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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=C(S4)S(=O)(=O)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=C(S4)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O7S3/c30-24(27-25-26-15-23(37-25)38(33,34)21-11-7-20(8-12-21)29(31)32)18-5-9-22(10-6-18)39(35,36)28-14-13-17-3-1-2-4-19(17)16-28/h1-12,15H,13-14,16H2,(H,26,27,30)