butyl 4-[4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate

Systemtic Name: butyl 4-[4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: butyl 4-[4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 4-[[4-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 4-[4-(N-mesyl-2,5-dimethyl-anilino)butanoylamino]benzoic acid butyl ester Formula: C24H32N2O5S MolecularWeight: 460.58628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN(C2=C(C=CC(=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN(C2=C(C=CC(=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C24H32N2O5S/c1-5-6-16-31-24(28)20-11-13-21(14-12-20)25-23(27)8-7-15-26(32(4,29)30)22-17-18(2)9-10-19(22)3/h9-14,17H,5-8,15-16H2,1-4H3,(H,25,27)