methyl 4-[[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[(2S)-3-methyl-2-(p-tolylsulfonylamino)butanoyl]amino]methyl]benzoate CAS Name: 4-[[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxobutyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]methyl]benzoate Traditional Name: 4-[[[(2S)-3-methyl-2-(tosylamino)butanoyl]amino]methyl]benzoic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H26N2O5S/c1-14(2)19(23-29(26,27)18-11-5-15(3)6-12-18)20(24)22-13-16-7-9-17(10-8-16)21(25)28-4/h5-12,14,19,23H,13H2,1-4H3,(H,22,24)/t19-/m0/s1