butyl 4-[(2-acetamido-4-methylsulfonyl-butanoyl)amino]benzoate

Systemtic Name: butyl 4-[(2-acetamido-4-methylsulfonyl-butanoyl)amino]benzoate Openeye Name: butyl 4-[(2-acetamido-4-methylsulfonyl-butanoyl)amino]benzoate CAS Name: 4-[(2-acetamido-4-methylsulfonyl-1-oxobutyl)amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-acetamido-4-methylsulfonylbutanoyl)amino]benzoate Traditional Name: 4-[(2-acetamido-4-mesyl-butanoyl)amino]benzoic acid butyl ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCS(=O)(=O)C)NC(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCS(=O)(=O)C)NC(=O)C

InChI

InChI=1S/C18H26N2O6S/c1-4-5-11-26-18(23)14-6-8-15(9-7-14)20-17(22)16(19-13(2)21)10-12-27(3,24)25/h6-9,16H,4-5,10-12H2,1-3H3,(H,19,21)(H,20,22)