[2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[[5-(4-nitrophenyl)sulfonylthiazol-2-yl]amino]-2-oxo-ethyl] 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid [2-[[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid [2-keto-2-[(5-nosylthiazol-2-yl)amino]ethyl] ester Formula: C23H22N4O11S3 MolecularWeight: 626.63598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H22N4O11S3/c1-36-18-7-2-15(12-19(18)41(34,35)26-8-10-37-11-9-26)22(29)38-14-20(28)25-23-24-13-21(39-23)40(32,33)17-5-3-16(4-6-17)27(30)31/h2-7,12-13H,8-11,14H2,1H3,(H,24,25,28)