2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-piperidin-1-yl-benzoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-piperidin-1-yl-benzoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-(1-piperidyl)benzoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-4-(1-piperidinyl)benzoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-4-piperidin-1-ylbenzoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-4-piperidino-benzoic acid Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)N3CCCCC3)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)N3CCCCC3)C(=O)O

InChI

InChI=1S/C24H28N2O4S/c1-17(27)31-16-19(14-18-8-4-2-5-9-18)23(28)25-22-15-20(10-11-21(22)24(29)30)26-12-6-3-7-13-26/h2,4-5,8-11,15,19H,3,6-7,12-14,16H2,1H3,(H,25,28)(H,29,30)