[3-(dimethylsulfamoyl)phenyl]methyl (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl (2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-valeric acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC1=CC(=CC=C1)S(=O)(=O)N(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OCC1=CC(=CC=C1)S(=O)(=O)N(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H30N2O6S/c1-5-17(2)21(24-23(27)31-15-18-10-7-6-8-11-18)22(26)30-16-19-12-9-13-20(14-19)32(28,29)25(3)4/h6-14,17,21H,5,15-16H2,1-4H3,(H,24,27)/t17-,21-/m0/s1