methyl 3-[[5-[(1S)-1-azanyl-2-phenyl-ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfonyl]propanoate

Systemtic Name: methyl 3-[[5-[(1S)-1-azanyl-2-phenyl-ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfonyl]propanoate Openeye Name: methyl 3-[[5-[(1S)-1-amino-2-phenyl-ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfonyl]propanoate CAS Name: 3-[[5-[(1S)-1-amino-2-phenylethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfonyl]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-[(1S)-1-amino-2-phenylethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfonyl]propanoate Traditional Name: 3-[[5-[(1S)-1-amino-2-phenyl-ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfonyl]propionic acid methyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)C1=NN=C(N1C2=CC=CC=C2)C(CC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)CCS(=O)(=O)C1=NN=C(N1C2=CC=CC=C2)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C20H22N4O4S/c1-28-18(25)12-13-29(26,27)20-23-22-19(24(20)16-10-6-3-7-11-16)17(21)14-15-8-4-2-5-9-15/h2-11,17H,12-14,21H2,1H3/t17-/m0/s1