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

Systemtic Name: 2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]propanoic acid Openeye Name: 2-[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]propanoic acid CAS Name: 2-[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid Traditional Name: 2-[(4-methyl-3-piperidinosulfonyl-benzoyl)amino]propionic acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(C)C(=O)O)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(C)C(=O)O)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C16H22N2O5S/c1-11-6-7-13(15(19)17-12(2)16(20)21)10-14(11)24(22,23)18-8-4-3-5-9-18/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,17,19)(H,20,21)