3-[4-[2-carboxyethyl(phenylsulfonyl)amino]butyl-(phenylsulfonyl)amino]propanoic acid

Systemtic Name: 3-[4-[2-carboxyethyl(phenylsulfonyl)amino]butyl-(phenylsulfonyl)amino]propanoic acid Openeye Name: 3-[benzenesulfonyl-[4-[benzenesulfonyl(2-carboxyethyl)amino]butyl]amino]propanoic acid CAS Name: 3-[benzenesulfonyl-[4-[benzenesulfonyl(2-carboxyethyl)amino]butyl]amino]propanoic acid IUPAC Name: 3-[benzenesulfonyl-[4-[benzenesulfonyl(2-carboxyethyl)amino]butyl]amino]propanoic acid Traditional Name: 3-[besyl-[4-[besyl(2-carboxyethyl)amino]butyl]amino]propionic acid Formula: C22H28N2O8S2 MolecularWeight: 512.59632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O8S2/c25-21(26)13-17-23(33(29,30)19-9-3-1-4-10-19)15-7-8-16-24(18-14-22(27)28)34(31,32)20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2,(H,25,26)(H,27,28)