2-[3-(2-butanoyloxyphenyl)sulfonyloxy-3-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]propyl]sulfanylethanoic acid

Systemtic Name: 2-[3-(2-butanoyloxyphenyl)sulfonyloxy-3-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]propyl]sulfanylethanoic acid Openeye Name: 2-[3-(2-butanoyloxyphenyl)sulfonyloxy-3-oxo-2-(4-pyrrolidin-1-ylanilino)propyl]sulfanylacetic acid CAS Name: 2-[[3-oxo-3-[2-(1-oxobutoxy)phenyl]sulfonyloxy-2-[4-(1-pyrrolidinyl)anilino]propyl]thio]acetic acid IUPAC Name: 2-[3-(2-butanoyloxyphenyl)sulfonyloxy-3-oxo-2-(4-pyrrolidin-1-ylanilino)propyl]sulfanylacetic acid Traditional Name: 2-[[3-(2-butyryloxyphenyl)sulfonyloxy-3-keto-2-(4-pyrrolidinoanilino)propyl]thio]acetic acid Formula: C25H30N2O8S2 MolecularWeight: 550.6443

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=CC=C1S(=O)(=O)OC(=O)C(CSCC(=O)O)NC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

CCCC(=O)OC1=CC=CC=C1S(=O)(=O)OC(=O)C(CSCC(=O)O)NC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C25H30N2O8S2/c1-2-7-24(30)34-21-8-3-4-9-22(21)37(32,33)35-25(31)20(16-36-17-23(28)29)26-18-10-12-19(13-11-18)27-14-5-6-15-27/h3-4,8-13,20,26H,2,5-7,14-17H2,1H3,(H,28,29)