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

Systemtic Name: methyl 3-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[(2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]benzoate CAS Name: 3-[[[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate Traditional Name: 3-[[(2S)-1-tosylprolyl]amino]benzoic acid methyl ester 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=CC=CC(=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-14-8-10-17(11-9-14)28(25,26)22-12-4-7-18(22)19(23)21-16-6-3-5-15(13-16)20(24)27-2/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H,21,23)/t18-/m0/s1