[2-acetamido-5-(phenylsulfonyloxy)phenyl]-aminocarbonyl-carbamothioic S-acid

Systemtic Name: [2-acetamido-5-(phenylsulfonyloxy)phenyl]-aminocarbonyl-carbamothioic S-acid Openeye Name: [2-acetamido-5-(benzenesulfonyloxy)phenyl]-carbamoyl-carbamothioic S-acid CAS Name: [2-acetamido-5-(benzenesulfonyloxy)phenyl]-carbamoylcarbamothioic S-acid IUPAC Name: [2-acetamido-5-(benzenesulfonyloxy)phenyl]-carbamoylcarbamothioic S-acid Traditional Name: (2-acetamido-5-besyloxy-phenyl)-carbamoyl-thiocarbamic S-acid Formula: C16H15N3O6S2 MolecularWeight: 409.4368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)N(C(=O)N)C(=O)S

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)N(C(=O)N)C(=O)S

InChI

InChI=1S/C16H15N3O6S2/c1-10(20)18-13-8-7-11(9-14(13)19(15(17)21)16(22)26)25-27(23,24)12-5-3-2-4-6-12/h2-9H,1H3,(H2,17,21)(H,18,20)(H,22,26)