N-benzo[e][1,3]benzothiazol-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C27H21N3O3S2 MolecularWeight: 499.60394

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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=NC5=C(S4)C=CC6=CC=CC=C65

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NC5=C(S4)C=CC6=CC=CC=C65

InChI

InChI=1S/C27H21N3O3S2/c31-26(29-27-28-25-23-8-4-3-6-19(23)11-14-24(25)34-27)20-9-12-22(13-10-20)35(32,33)30-16-15-18-5-1-2-7-21(18)17-30/h1-14H,15-17H2,(H,28,29,31)