ethyl 2-[4-[(3-methylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate

Systemtic Name: ethyl 2-[4-[(3-methylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: ethyl 2-[4-(3-methyl-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 2-[[4-(3-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-methyl-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 2-[4-(N-mesyl-3-methyl-anilino)butanoylamino]benzoic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CCCN(C2=CC=CC(=C2)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CCCN(C2=CC=CC(=C2)C)S(=O)(=O)C

InChI

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