methyl 4-[[(2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoyl]amino]benzoate

Systemtic Name: methyl 4-[[(2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoyl]amino]benzoate Openeye Name: methyl 4-[[(2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoyl]amino]benzoic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H26N2O5S/c1-14(19(24)22-17-10-6-15(7-11-17)20(25)28-5)23-29(26,27)18-12-8-16(9-13-18)21(2,3)4/h6-14,23H,1-5H3,(H,22,24)/t14-/m0/s1