(1-methylpiperidin-2-yl)methyl 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: (1-methylpiperidin-2-yl)methyl 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate Openeye Name: (1-methyl-2-piperidyl)methyl 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]benzoic acid (1-methyl-2-piperidinyl)methyl ester IUPAC Name: (1-methylpiperidin-2-yl)methyl 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]benzoate Traditional Name: 3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]benzoic acid (1-methyl-2-piperidyl)methyl 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)OCC3CCCCN3C

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)OCC3CCCCN3C

InChI

InChI=1S/C26H32N2O4S/c1-19(29)33-18-22(15-20-9-4-3-5-10-20)25(30)27-23-12-8-11-21(16-23)26(31)32-17-24-13-6-7-14-28(24)2/h3-5,8-12,16,22,24H,6-7,13-15,17-18H2,1-2H3,(H,27,30)