3-methyl-4-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[(2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 3-methyl-4-[[[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[(2S)-1-tosylprolyl]amino]benzoic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C(C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=C(C=C(C=C3)C(=O)O)C

InChI

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