(2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-morpholino-1,3-benzothiazol-6-yl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-(4-morpholinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-morpholino-1,3-benzothiazol-6-yl) ester Formula: C24H27N3O5S2 MolecularWeight: 501.61828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

InChI

InChI=1S/C24H27N3O5S2/c28-23(18-5-8-20(9-6-18)34(29,30)27-11-3-1-2-4-12-27)32-19-7-10-21-22(17-19)33-24(25-21)26-13-15-31-16-14-26/h5-10,17H,1-4,11-16H2