4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C25H23N3O3S2/c1-16-13-17(2)23-22(14-16)32-25(26-23)27-24(29)19-7-9-21(10-8-19)33(30,31)28-12-11-18-5-3-4-6-20(18)15-28/h3-10,13-14H,11-12,15H2,1-2H3,(H,26,27,29)