2-[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-4-phenyl-butanoic acid

Systemtic Name: 2-[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-4-phenyl-butanoic acid Openeye Name: 2-[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-4-phenyl-butanoic acid CAS Name: 2-[[2-(heptylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-4-phenylbutanoic acid IUPAC Name: 2-[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-4-phenylbutanoic acid Traditional Name: 2-[[2-(heptylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-4-phenyl-butyric acid Formula: C24H30N2O4S3 MolecularWeight: 506.701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H30N2O4S3/c1-2-3-4-5-9-16-31-24-25-20-15-13-19(17-22(20)32-24)33(29,30)26-21(23(27)28)14-12-18-10-7-6-8-11-18/h6-8,10-11,13,15,17,21,26H,2-5,9,12,14,16H2,1H3,(H,27,28)