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

Systemtic Name: methyl 4-[[(2S)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[(2S)-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate CAS Name: 4-[[[(2S)-1-(4-ethoxyphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate Traditional Name: 4-[[(2S)-1-p-phenetylsulfonylprolyl]amino]benzoic acid methyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H24N2O6S/c1-3-29-17-10-12-18(13-11-17)30(26,27)23-14-4-5-19(23)20(24)22-16-8-6-15(7-9-16)21(25)28-2/h6-13,19H,3-5,14H2,1-2H3,(H,22,24)/t19-/m0/s1