[3-[(phenylmethyl)carbamoyl]phenyl] 5-chloranyl-1-methyl-imidazole-4-sulfonate

Systemtic Name: [3-[(phenylmethyl)carbamoyl]phenyl] 5-chloranyl-1-methyl-imidazole-4-sulfonate Openeye Name: [3-(benzylcarbamoyl)phenyl] 5-chloro-1-methyl-imidazole-4-sulfonate CAS Name: 5-chloro-1-methyl-4-imidazolesulfonic acid [3-[oxo-[(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-(benzylcarbamoyl)phenyl] 5-chloro-1-methylimidazole-4-sulfonate Traditional Name: 5-chloro-1-methyl-imidazole-4-sulfonic acid [3-(benzylcarbamoyl)phenyl] ester Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1Cl)S(=O)(=O)OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CN1C=NC(=C1Cl)S(=O)(=O)OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C18H16ClN3O4S/c1-22-12-21-18(16(22)19)27(24,25)26-15-9-5-8-14(10-15)17(23)20-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,20,23)