4-[[3-oxidanylidene-3-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]propyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[3-oxidanylidene-3-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]propyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[3-oxo-3-(3-pyrrolidin-1-ylsulfonylanilino)propyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[3-oxo-3-[3-(1-pyrrolidinylsulfonyl)anilino]propyl]thio]methyl]benzoic acid IUPAC Name: 4-[[3-oxo-3-(3-pyrrolidin-1-ylsulfonylanilino)propyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[3-keto-3-(3-pyrrolidinosulfonylanilino)propyl]thio]methyl]benzoic acid Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCSCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCSCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H24N2O5S2/c24-20(10-13-29-15-16-6-8-17(9-7-16)21(25)26)22-18-4-3-5-19(14-18)30(27,28)23-11-1-2-12-23/h3-9,14H,1-2,10-13,15H2,(H,22,24)(H,25,26)