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

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (2-pyrrolidin-1-yl-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-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-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-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C27H25N3O4S2 MolecularWeight: 519.6351

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C27H25N3O4S2/c31-26(34-22-9-12-24-25(17-22)35-27(28-24)29-14-3-4-15-29)20-7-10-23(11-8-20)36(32,33)30-16-13-19-5-1-2-6-21(19)18-30/h1-2,5-12,17H,3-4,13-16,18H2