2-[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-5-phenyl-pentanoic acid

Systemtic Name: 2-[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-5-phenyl-pentanoic acid Openeye Name: 2-[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-5-phenyl-pentanoic acid CAS Name: 2-[[2-(heptylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-5-phenylpentanoic acid IUPAC Name: 2-[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-5-phenylpentanoic acid Traditional Name: 2-[[2-(heptylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-5-phenyl-valeric acid Formula: C25H32N2O4S3 MolecularWeight: 520.72758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H32N2O4S3/c1-2-3-4-5-9-17-32-25-26-21-16-15-20(18-23(21)33-25)34(30,31)27-22(24(28)29)14-10-13-19-11-7-6-8-12-19/h6-8,11-12,15-16,18,22,27H,2-5,9-10,13-14,17H2,1H3,(H,28,29)