4-[[2-[butyl-(4-ethoxyphenyl)sulfonyl-amino]ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-[butyl-(4-ethoxyphenyl)sulfonyl-amino]ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[butyl-(4-ethoxyphenyl)sulfonyl-amino]acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[butyl-(4-ethoxyphenyl)sulfonylamino]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[butyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[butyl(p-phenetylsulfonyl)amino]acetyl]amino]methyl]benzoic acid Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NCC1=CC=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCN(CC(=O)NCC1=CC=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C22H28N2O6S/c1-3-5-14-24(31(28,29)20-12-10-19(11-13-20)30-4-2)16-21(25)23-15-17-6-8-18(9-7-17)22(26)27/h6-13H,3-5,14-16H2,1-2H3,(H,23,25)(H,26,27)