4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)benzamide Openeye Name: N-(5-acetyl-4-methyl-thiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-(5-acetyl-4-methyl-2-thiazolyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-(5-acetyl-4-methyl-thiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)C

InChI

InChI=1S/C22H21N3O4S2/c1-14-20(15(2)26)30-22(23-14)24-21(27)17-7-9-19(10-8-17)31(28,29)25-12-11-16-5-3-4-6-18(16)13-25/h3-10H,11-13H2,1-2H3,(H,23,24,27)