(2S)-1-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: (2S)-1-[4-[methyl(p-tolylsulfonyl)amino]benzoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-[methyl(tosyl)amino]benzoyl]pyrrolidine-2-carboxylate Formula: C20H21N2O5S- MolecularWeight: 401.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)N3CCCC3C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)N3CCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C20H22N2O5S/c1-14-5-11-17(12-6-14)28(26,27)21(2)16-9-7-15(8-10-16)19(23)22-13-3-4-18(22)20(24)25/h5-12,18H,3-4,13H2,1-2H3,(H,24,25)/p-1/t18-/m0/s1