methyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]sulfanylcarbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]sulfanylcarbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-phenyl-2-[[1-(p-tolylsulfonyl)pyrrolidin-2-yl]sulfanylcarbonylamino]propanoate CAS Name: 2-[[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]thio]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]sulfanylcarbonylamino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-[[(1-tosylpyrrolidin-2-yl)thio]carbonylamino]propionic acid methyl ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2SC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2SC(=O)NC(CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H26N2O5S2/c1-16-10-12-18(13-11-16)31(27,28)24-14-6-9-20(24)30-22(26)23-19(21(25)29-2)15-17-7-4-3-5-8-17/h3-5,7-8,10-13,19-20H,6,9,14-15H2,1-2H3,(H,23,26)