methyl 4-[[(2S)-2-benzamido-4-methylsulfonyl-butanoyl]amino]benzoate

Systemtic Name: methyl 4-[[(2S)-2-benzamido-4-methylsulfonyl-butanoyl]amino]benzoate Openeye Name: methyl 4-[[(2S)-2-benzamido-4-methylsulfonyl-butanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-benzamido-4-methylsulfonyl-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-benzamido-4-methylsulfonylbutanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-benzamido-4-mesyl-butanoyl]amino]benzoic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O6S/c1-28-20(25)15-8-10-16(11-9-15)21-19(24)17(12-13-29(2,26)27)22-18(23)14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H,21,24)(H,22,23)/t17-/m0/s1