[4-(1,3-thiazol-2-ylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [4-(1,3-thiazol-2-ylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-(thiazol-2-ylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[oxo-(2-thiazolylamino)methyl]phenyl] ester IUPAC Name: [4-(1,3-thiazol-2-ylcarbamoyl)phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-(thiazol-2-ylcarbamoyl)phenyl] ester Formula: C17H13N3O6S2 MolecularWeight: 419.43162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=NC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=NC=CS3

InChI

InChI=1S/C17H13N3O6S2/c1-11-2-5-13(20(22)23)10-15(11)28(24,25)26-14-6-3-12(4-7-14)16(21)19-17-18-8-9-27-17/h2-10H,1H3,(H,18,19,21)