(2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (2-morpholino-1,3-benzothiazol-6-yl) 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(4-morpholinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-morpholino-1,3-benzothiazol-6-yl) ester Formula: C27H25N3O5S2 MolecularWeight: 535.6345

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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)OC4=CC5=C(C=C4)N=C(S5)N6CCOCC6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)OC4=CC5=C(C=C4)N=C(S5)N6CCOCC6

InChI

InChI=1S/C27H25N3O5S2/c31-26(35-22-7-10-24-25(17-22)36-27(28-24)29-13-15-34-16-14-29)20-5-8-23(9-6-20)37(32,33)30-12-11-19-3-1-2-4-21(19)18-30/h1-10,17H,11-16,18H2