3-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[4-(1-piperidylsulfonyl)benzoyl]amino]propanoic acid CAS Name: 2-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid Traditional Name: 3-phenyl-2-[(4-piperidinosulfonylbenzoyl)amino]propionic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c24-20(22-19(21(25)26)15-16-7-3-1-4-8-16)17-9-11-18(12-10-17)29(27,28)23-13-5-2-6-14-23/h1,3-4,7-12,19H,2,5-6,13-15H2,(H,22,24)(H,25,26)