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

Systemtic Name: methyl 2-[[5-[(1S)-1-azanyl-2-phenyl-ethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfonyl]ethanoate Openeye Name: methyl 2-[[5-[(1S)-1-amino-2-phenyl-ethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfonyl]acetate CAS Name: 2-[[5-[(1S)-1-amino-2-phenylethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfonyl]acetic acid methyl ester IUPAC Name: methyl 2-[[5-[(1S)-1-amino-2-phenylethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfonyl]acetate Traditional Name: 2-[[5-[(1S)-1-amino-2-phenyl-ethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfonyl]acetic acid methyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CS(=O)(=O)C1=NN=C(N1CCC2=CC=CC=C2)C(CC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)CS(=O)(=O)C1=NN=C(N1CCC2=CC=CC=C2)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C21H24N4O4S/c1-29-19(26)15-30(27,28)21-24-23-20(18(22)14-17-10-6-3-7-11-17)25(21)13-12-16-8-4-2-5-9-16/h2-11,18H,12-15,22H2,1H3/t18-/m0/s1