[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C20H18N4O8S2 MolecularWeight: 506.50892

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O8S2/c25-18(22-20-21-16-5-4-14(24(27)28)11-17(16)33-20)12-32-19(26)13-2-1-3-15(10-13)34(29,30)23-6-8-31-9-7-23/h1-5,10-11H,6-9,12H2,(H,21,22,25)