(2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2-morpholino-1,3-benzothiazol-6-yl) 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-(4-morpholinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (2-morpholino-1,3-benzothiazol-6-yl) ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

InChI

InChI=1S/C22H23N3O5S2/c26-21(16-3-6-18(7-4-16)32(27,28)25-9-1-2-10-25)30-17-5-8-19-20(15-17)31-22(23-19)24-11-13-29-14-12-24/h3-8,15H,1-2,9-14H2