[4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[2-(2-methylthiazol-4-yl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[2-(2-methyl-4-thiazolyl)ethylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[2-(2-methylthiazol-4-yl)ethylcarbamoyl]phenyl] ester Formula: C19H17N3O6S2 MolecularWeight: 447.48478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CCNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)CCNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6S2/c1-13-21-15(12-29-13)9-10-20-19(23)14-5-7-17(8-6-14)28-30(26,27)18-4-2-3-16(11-18)22(24)25/h2-8,11-12H,9-10H2,1H3,(H,20,23)