methyl 2-[4-[[2-acetamido-3-(2,3-dimethoxyphenyl)propanoyl]amino]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[[2-acetamido-3-(2,3-dimethoxyphenyl)propanoyl]amino]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[[2-acetamido-3-(2,3-dimethoxyphenyl)propanoyl]amino]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[2-acetamido-3-(2,3-dimethoxyphenyl)-1-oxopropyl]amino]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[2-acetamido-3-(2,3-dimethoxyphenyl)propanoyl]amino]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[[2-acetamido-3-(2,3-dimethoxyphenyl)propanoyl]amino]piperidino]sulfonylbenzoic acid methyl ester Formula: C26H33N3O8S MolecularWeight: 547.62052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=C(C(=CC=C1)OC)OC)C(=O)NC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(=O)NC(CC1=C(C(=CC=C1)OC)OC)C(=O)NC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C26H33N3O8S/c1-17(30)27-21(16-18-8-7-10-22(35-2)24(18)36-3)25(31)28-19-12-14-29(15-13-19)38(33,34)23-11-6-5-9-20(23)26(32)37-4/h5-11,19,21H,12-16H2,1-4H3,(H,27,30)(H,28,31)