(2S)-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-3-phenyl-2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-[(1-tosylisonipecotoyl)amino]propionate Formula: C22H25N2O5S- MolecularWeight: 429.5093

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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)N[C@@H](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)/p-1/t20-/m0/s1