4-[2-(heptanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(heptanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(heptanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-(1-oxoheptylamino)phenyl]thio]butanoic acid IUPAC Name: 4-[2-(heptanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-(enanthylamino)phenyl]thio]butyric acid Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

Isomeric SMILES

CCCCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

InChI

InChI=1S/C17H25NO3S/c1-2-3-4-5-11-16(19)18-14-9-6-7-10-15(14)22-13-8-12-17(20)21/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,18,19)(H,20,21)