methyl (2S)-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-[(2,6-dimethyl-4-morpholinyl)sulfonyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(2,6-dimethylmorpholino)sulfonylbenzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H28N2O6S/c1-16-14-25(15-17(2)31-16)32(28,29)20-11-9-19(10-12-20)22(26)24-21(23(27)30-3)13-18-7-5-4-6-8-18/h4-12,16-17,21H,13-15H2,1-3H3,(H,24,26)/t16?,17?,21-/m0/s1