methyl 4-methyl-3-[4-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[4-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[4-(4-methyl-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 4-methyl-3-[[4-(4-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[4-(4-methyl-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 3-[4-(N-mesyl-4-methyl-anilino)butanoylamino]-4-methyl-benzoic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O5S/c1-15-7-11-18(12-8-15)23(29(4,26)27)13-5-6-20(24)22-19-14-17(21(25)28-3)10-9-16(19)2/h7-12,14H,5-6,13H2,1-4H3,(H,22,24)