butyl 4-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate

Systemtic Name: butyl 4-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate Openeye Name: butyl 4-[3-(p-tolylsulfonylamino)propanoylamino]benzoate CAS Name: 4-[[3-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate Traditional Name: 4-[3-(tosylamino)propanoylamino]benzoic acid butyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C

InChI

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