7-[(2-bromophenyl)carbamoylamino]-6-oxidanyl-1-benzothiophene-4-sulfonic acid

Systemtic Name: 7-[(2-bromophenyl)carbamoylamino]-6-oxidanyl-1-benzothiophene-4-sulfonic acid Openeye Name: 7-[(2-bromophenyl)carbamoylamino]-6-hydroxy-benzothiophene-4-sulfonic acid CAS Name: 7-[[(2-bromoanilino)-oxomethyl]amino]-6-hydroxy-1-benzothiophene-4-sulfonic acid IUPAC Name: 7-[(2-bromophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-4-sulfonic acid Traditional Name: 7-[(2-bromophenyl)carbamoylamino]-6-hydroxy-benzothiophene-4-sulfonic acid Formula: C15H11BrN2O5S2 MolecularWeight: 443.29224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)NC2=C3C(=C(C=C2O)S(=O)(=O)O)C=CS3)Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)NC2=C3C(=C(C=C2O)S(=O)(=O)O)C=CS3)Br

InChI

InChI=1S/C15H11BrN2O5S2/c16-9-3-1-2-4-10(9)17-15(20)18-13-11(19)7-12(25(21,22)23)8-5-6-24-14(8)13/h1-7,19H,(H2,17,18,20)(H,21,22,23)