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

Systemtic Name: methyl 4-[4-[(3-methylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: methyl 4-[4-(3-methyl-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 4-[[4-(3-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(3-methyl-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 4-[4-(N-mesyl-3-methyl-anilino)butanoylamino]benzoic acid methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-15-6-4-7-18(14-15)22(28(3,25)26)13-5-8-19(23)21-17-11-9-16(10-12-17)20(24)27-2/h4,6-7,9-12,14H,5,8,13H2,1-3H3,(H,21,23)