3-[6-[2-carboxyethyl(phenylsulfonyl)amino]hexyl-(phenylsulfonyl)amino]propanoic acid

Systemtic Name: 3-[6-[2-carboxyethyl(phenylsulfonyl)amino]hexyl-(phenylsulfonyl)amino]propanoic acid Openeye Name: 3-[benzenesulfonyl-[6-[benzenesulfonyl(2-carboxyethyl)amino]hexyl]amino]propanoic acid CAS Name: 3-[benzenesulfonyl-[6-[benzenesulfonyl(2-carboxyethyl)amino]hexyl]amino]propanoic acid IUPAC Name: 3-[benzenesulfonyl-[6-[benzenesulfonyl(2-carboxyethyl)amino]hexyl]amino]propanoic acid Traditional Name: 3-[besyl-[6-[besyl(2-carboxyethyl)amino]hexyl]amino]propionic acid Formula: C24H32N2O8S2 MolecularWeight: 540.64948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CCCCCCN(CCC(=O)O)S(=O)(=O)C2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CCCCCCN(CCC(=O)O)S(=O)(=O)C2=CC=CC=C2)CCC(=O)O

InChI

InChI=1S/C24H32N2O8S2/c27-23(28)15-19-25(35(31,32)21-11-5-3-6-12-21)17-9-1-2-10-18-26(20-16-24(29)30)36(33,34)22-13-7-4-8-14-22/h3-8,11-14H,1-2,9-10,15-20H2,(H,27,28)(H,29,30)