dimethyl(sulfonyl)azanium; 3-(furan-2-ylmethylamino)-4-thiophen-2-yl-benzoic acid

Systemtic Name: dimethyl(sulfonyl)azanium; 3-(furan-2-ylmethylamino)-4-thiophen-2-yl-benzoic acid Openeye Name: dimethyl(sulfonyl)ammonium; 3-(2-furylmethylamino)-4-(2-thienyl)benzoic acid CAS Name: dimethyl(sulfonyl)ammonium; 3-(2-furanylmethylamino)-4-thiophen-2-ylbenzoic acid IUPAC Name: dimethyl(sulfonyl)azanium; 3-(furan-2-ylmethylamino)-4-thiophen-2-ylbenzoic acid Traditional Name: dimethyl(sulfonyl)ammonium; 3-(2-furfurylamino)-4-(2-thienyl)benzoic acid Formula: C18H19N2O5S2+ MolecularWeight: 407.48386

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=S(=O)=O)C.C1=COC(=C1)CNC2=C(C=CC(=C2)C(=O)O)C3=CC=CS3

Isomeric SMILES

C[N+](=S(=O)=O)C.C1=COC(=C1)CNC2=C(C=CC(=C2)C(=O)O)C3=CC=CS3

InChI

InChI=1S/C16H13NO3S.C2H6NO2S/c18-16(19)11-5-6-13(15-4-2-8-21-15)14(9-11)17-10-12-3-1-7-20-12;1-3(2)6(4)5/h1-9,17H,10H2,(H,18,19);1-2H3/q;+1