4-[2-[(11-sulfinoundecanoylamino)methylsulfonyl]phenyl]sulfanylbutane-1-sulfonic acid

Systemtic Name: 4-[2-[(11-sulfinoundecanoylamino)methylsulfonyl]phenyl]sulfanylbutane-1-sulfonic acid Openeye Name: 4-[2-[(11-sulfinoundecanoylamino)methylsulfonyl]phenyl]sulfanylbutane-1-sulfonic acid CAS Name: 4-[[2-[[(1-oxo-11-sulfinoundecyl)amino]methylsulfonyl]phenyl]thio]-1-butanesulfonic acid IUPAC Name: 4-[2-[(11-sulfinoundecanoylamino)methylsulfonyl]phenyl]sulfanylbutane-1-sulfonic acid Traditional Name: 4-[[2-[(11-sulfinoundecanoylamino)methylsulfonyl]phenyl]thio]butane-1-sulfonic acid Formula: C22H37NO8S4 MolecularWeight: 571.79108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SCCCCS(=O)(=O)O)S(=O)(=O)CNC(=O)CCCCCCCCCCS(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)SCCCCS(=O)(=O)O)S(=O)(=O)CNC(=O)CCCCCCCCCCS(=O)O

InChI

InChI=1S/C22H37NO8S4/c24-22(15-7-5-3-1-2-4-6-11-17-33(25)26)23-19-34(27,28)21-14-9-8-13-20(21)32-16-10-12-18-35(29,30)31/h8-9,13-14H,1-7,10-12,15-19H2,(H,23,24)(H,25,26)(H,29,30,31)