4-[3-[(2-nitrophenyl)sulfanylcarbamoylamino]propoxy]benzoic acid

Systemtic Name: 4-[3-[(2-nitrophenyl)sulfanylcarbamoylamino]propoxy]benzoic acid Openeye Name: 4-[3-[(2-nitrophenyl)sulfanylcarbamoylamino]propoxy]benzoic acid CAS Name: 4-[3-[[[[(2-nitrophenyl)thio]amino]-oxomethyl]amino]propoxy]benzoic acid IUPAC Name: 4-[3-[(2-nitrophenyl)sulfanylcarbamoylamino]propoxy]benzoic acid Traditional Name: 4-[3-[[(2-nitrophenyl)thio]carbamoylamino]propoxy]benzoic acid Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SNC(=O)NCCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SNC(=O)NCCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H17N3O6S/c21-16(22)12-6-8-13(9-7-12)26-11-3-10-18-17(23)19-27-15-5-2-1-4-14(15)20(24)25/h1-2,4-9H,3,10-11H2,(H,21,22)(H2,18,19,23)