methyl 3-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoylamino]benzoate

Systemtic Name: methyl 3-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoylamino]benzoate Openeye Name: methyl 3-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoylamino]benzoate CAS Name: 3-[[4-[(4-methoxyphenyl)sulfonyl-methylamino]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzoate Traditional Name: 3-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoylamino]benzoic acid methyl ester Formula: C20H24N2O6S MolecularWeight: 420.47936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NC1=CC=CC(=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CN(CCCC(=O)NC1=CC=CC(=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H24N2O6S/c1-22(29(25,26)18-11-9-17(27-2)10-12-18)13-5-8-19(23)21-16-7-4-6-15(14-16)20(24)28-3/h4,6-7,9-12,14H,5,8,13H2,1-3H3,(H,21,23)