butyl 4-[2-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: butyl 4-[2-(4-methyl-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 4-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-(4-methyl-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 4-[2-(N-mesyl-4-methyl-anilino)butanoylamino]benzoic acid butyl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S/c1-5-7-16-30-23(27)18-10-12-19(13-11-18)24-22(26)21(6-2)25(31(4,28)29)20-14-8-17(3)9-15-20/h8-15,21H,5-7,16H2,1-4H3,(H,24,26)