[(1R,2S)-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-1-phenyl-propyl] propanoate

Systemtic Name: [(1R,2S)-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-1-phenyl-propyl] propanoate Openeye Name: [(1R,2S)-2-[benzyl(p-tolylsulfonyl)amino]-1-phenyl-propyl] propanoate CAS Name: propanoic acid [(1R,2S)-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-1-phenylpropyl] ester IUPAC Name: [(1R,2S)-2-[benzyl-(4-methylphenyl)sulfonylamino]-1-phenylpropyl] propanoate Traditional Name: propionic acid [(1R,2S)-2-[benzyl(tosyl)amino]-1-phenyl-propyl] ester Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C1=CC=CC=C1)C(C)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(=O)O[C@H](C1=CC=CC=C1)[C@H](C)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H29NO4S/c1-4-25(28)31-26(23-13-9-6-10-14-23)21(3)27(19-22-11-7-5-8-12-22)32(29,30)24-17-15-20(2)16-18-24/h5-18,21,26H,4,19H2,1-3H3/t21-,26-/m0/s1