2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-phenyl-2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]propanoic acid CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 3-phenyl-2-[(1-tosylisonipecotoyl)amino]propionic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H26N2O5S/c1-16-7-9-19(10-8-16)30(28,29)24-13-11-18(12-14-24)21(25)23-20(22(26)27)15-17-5-3-2-4-6-17/h2-10,18,20H,11-15H2,1H3,(H,23,25)(H,26,27)