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

Systemtic Name: N-(1,3-benzothiazol-5-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-(1,3-benzothiazol-5-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-(1,3-benzothiazol-5-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-(1,3-benzothiazol-5-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-(1,3-benzothiazol-5-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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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=CC5=C(C=C4)SC=N5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)SC=N5

InChI

InChI=1S/C23H19N3O3S2/c27-23(25-19-7-10-22-21(13-19)24-15-30-22)17-5-8-20(9-6-17)31(28,29)26-12-11-16-3-1-2-4-18(16)14-26/h1-10,13,15H,11-12,14H2,(H,25,27)