2-[4-[bis(2-hexylsulfanylethyl)amino]phenyl]-3-(phenylsulfonylamino)propanoic acid

Systemtic Name: 2-[4-[bis(2-hexylsulfanylethyl)amino]phenyl]-3-(phenylsulfonylamino)propanoic acid Openeye Name: 3-(benzenesulfonamido)-2-[4-[bis(2-hexylsulfanylethyl)amino]phenyl]propanoic acid CAS Name: 3-(benzenesulfonamido)-2-[4-[bis[2-(hexylthio)ethyl]amino]phenyl]propanoic acid IUPAC Name: 3-(benzenesulfonamido)-2-[4-[bis(2-hexylsulfanylethyl)amino]phenyl]propanoic acid Traditional Name: 3-(benzenesulfonamido)-2-[4-[bis[2-(hexylthio)ethyl]amino]phenyl]propionic acid Formula: C31H48N2O4S3 MolecularWeight: 608.91882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCCN(CCSCCCCCC)C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCSCCN(CCSCCCCCC)C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C31H48N2O4S3/c1-3-5-7-12-22-38-24-20-33(21-25-39-23-13-8-6-4-2)28-18-16-27(17-19-28)30(31(34)35)26-32-40(36,37)29-14-10-9-11-15-29/h9-11,14-19,30,32H,3-8,12-13,20-26H2,1-2H3,(H,34,35)