2-[[1-(4-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyloxy-pyrrolidin-2-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyloxy-pyrrolidin-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-(p-tolylsulfonyl)-4-(p-tolylsulfonyloxy)pyrrolidine-2-carbonyl]amino]acetic acid CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyloxy-2-pyrrolidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-(4-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]acetic acid Traditional Name: 2-[(1-tosyl-4-tosyloxy-prolyl)amino]acetic acid Formula: C21H24N2O8S2 MolecularWeight: 496.55386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)NCC(=O)O)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)NCC(=O)O)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H24N2O8S2/c1-14-3-7-17(8-4-14)32(27,28)23-13-16(11-19(23)21(26)22-12-20(24)25)31-33(29,30)18-9-5-15(2)6-10-18/h3-10,16,19H,11-13H2,1-2H3,(H,22,26)(H,24,25)