[3-[[5-(methylsulfonylmethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] (4-ethynyl-2-nitro-phenyl)methanesulfonate

Systemtic Name: [3-[[5-(methylsulfonylmethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] (4-ethynyl-2-nitro-phenyl)methanesulfonate Openeye Name: [3-[[5-(methylsulfonylmethyl)thiazol-2-yl]carbamoyl]phenyl] (4-ethynyl-2-nitro-phenyl)methanesulfonate CAS Name: (4-ethynyl-2-nitrophenyl)methanesulfonic acid [3-[[[5-(methylsulfonylmethyl)-2-thiazolyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [3-[[5-(methylsulfonylmethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] (4-ethynyl-2-nitrophenyl)methanesulfonate Traditional Name: (4-ethynyl-2-nitro-phenyl)methanesulfonic acid [3-[[5-(mesylmethyl)thiazol-2-yl]carbamoyl]phenyl] ester Formula: C21H17N3O8S3 MolecularWeight: 535.56998

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CN=C(S1)NC(=O)C2=CC(=CC=C2)OS(=O)(=O)CC3=C(C=C(C=C3)C#C)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)CC1=CN=C(S1)NC(=O)C2=CC(=CC=C2)OS(=O)(=O)CC3=C(C=C(C=C3)C#C)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O8S3/c1-3-14-7-8-16(19(9-14)24(26)27)12-35(30,31)32-17-6-4-5-15(10-17)20(25)23-21-22-11-18(33-21)13-34(2,28)29/h1,4-11H,12-13H2,2H3,(H,22,23,25)