(2S)-2-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]carbonylamino]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]carbonylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[[1-(4-bromophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-phenylacetic acid Traditional Name: (2S)-2-[(1-brosylisonipecotoyl)amino]-2-phenyl-acetic acid Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)N[C@@H](C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN2O5S/c21-16-6-8-17(9-7-16)29(27,28)23-12-10-15(11-13-23)19(24)22-18(20(25)26)14-4-2-1-3-5-14/h1-9,15,18H,10-13H2,(H,22,24)(H,25,26)/t18-/m0/s1