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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-thiazol-2-ylphenyl)benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(2-thiazolyl)phenyl]benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-thiazol-2-ylphenyl)benzamide Formula: C25H21N3O3S2 MolecularWeight: 475.58254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)C5=NC=CS5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)C5=NC=CS5

InChI

InChI=1S/C25H21N3O3S2/c29-24(27-22-10-8-19(9-11-22)25-26-13-15-32-25)20-6-3-7-23(16-20)33(30,31)28-14-12-18-4-1-2-5-21(18)17-28/h1-11,13,15-16H,12,14,17H2,(H,27,29)