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

Systemtic Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S2/c1-22(2)20-21-17-8-5-15(13-18(17)29-20)28-19(24)14-3-6-16(7-4-14)30(25,26)23-9-11-27-12-10-23/h3-8,13H,9-12H2,1-2H3