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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(3,4-dimethylphenyl)thiazol-2-yl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(3,4-dimethylphenyl)-2-thiazolyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(3,4-dimethylphenyl)thiazol-2-yl]benzamide Formula: C27H25N3O3S2 MolecularWeight: 503.6357

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C27H25N3O3S2/c1-18-7-8-22(15-19(18)2)25-17-34-27(28-25)29-26(31)21-9-11-24(12-10-21)35(32,33)30-14-13-20-5-3-4-6-23(20)16-30/h3-12,15,17H,13-14,16H2,1-2H3,(H,28,29,31)