2-piperidin-1-ylethyl 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoate

Systemtic Name: 2-piperidin-1-ylethyl 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoate Openeye Name: 2-(1-piperidyl)ethyl 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]benzoate CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]benzoic acid 2-(1-piperidinyl)ethyl ester IUPAC Name: 2-piperidin-1-ylethyl 3-[(2-benzyl-3-sulfanylpropanoyl)amino]benzoate Traditional Name: 3-[(2-benzyl-3-mercapto-propanoyl)amino]benzoic acid 2-piperidinoethyl ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC(=O)C2=CC(=CC=C2)NC(=O)C(CC3=CC=CC=C3)CS

Isomeric SMILES

C1CCN(CC1)CCOC(=O)C2=CC(=CC=C2)NC(=O)C(CC3=CC=CC=C3)CS

InChI

InChI=1S/C24H30N2O3S/c27-23(21(18-30)16-19-8-3-1-4-9-19)25-22-11-7-10-20(17-22)24(28)29-15-14-26-12-5-2-6-13-26/h1,3-4,7-11,17,21,30H,2,5-6,12-16,18H2,(H,25,27)