2-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanedioic acid

Systemtic Name: 2-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanedioic acid Openeye Name: 2-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanedioic acid CAS Name: 2-[[2-(hexylthio)-1,3-benzothiazol-6-yl]sulfonylamino]pentanedioic acid IUPAC Name: 2-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanedioic acid Traditional Name: 2-[[2-(hexylthio)-1,3-benzothiazol-6-yl]sulfonylamino]glutaric acid Formula: C18H24N2O6S3 MolecularWeight: 460.58796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C18H24N2O6S3/c1-2-3-4-5-10-27-18-19-13-7-6-12(11-15(13)28-18)29(25,26)20-14(17(23)24)8-9-16(21)22/h6-7,11,14,20H,2-5,8-10H2,1H3,(H,21,22)(H,23,24)