2-piperidin-1-ylethyl 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: 2-piperidin-1-ylethyl 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate Openeye Name: 2-(1-piperidyl)ethyl 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]benzoic acid 2-(1-piperidinyl)ethyl ester IUPAC Name: 2-piperidin-1-ylethyl 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]benzoate Traditional Name: 3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]benzoic acid 2-piperidinoethyl ester Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)OCCN3CCCCC3

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)OCCN3CCCCC3

InChI

InChI=1S/C26H32N2O4S/c1-20(29)33-19-23(17-21-9-4-2-5-10-21)25(30)27-24-12-8-11-22(18-24)26(31)32-16-15-28-13-6-3-7-14-28/h2,4-5,8-12,18,23H,3,6-7,13-17,19H2,1H3,(H,27,30)