[2-(diethylamino)-1,3-benzothiazol-6-yl] 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H25N3O5S2/c1-3-24(4-2)22-23-19-10-7-17(15-20(19)31-22)30-21(26)16-5-8-18(9-6-16)32(27,28)25-11-13-29-14-12-25/h5-10,15H,3-4,11-14H2,1-2H3