(1-methylpiperidin-2-yl)methyl 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1COC(=O)C2=CC(=CC=C2)NC(=O)C(CC3=CC=CC=C3)CS

Isomeric SMILES

CN1CCCCC1COC(=O)C2=CC(=CC=C2)NC(=O)C(CC3=CC=CC=C3)CS

InChI

InChI=1S/C24H30N2O3S/c1-26-13-6-5-12-22(26)16-29-24(28)19-10-7-11-21(15-19)25-23(27)20(17-30)14-18-8-3-2-4-9-18/h2-4,7-11,15,20,22,30H,5-6,12-14,16-17H2,1H3,(H,25,27)