2-(butylsulfonylamino)-3-[[2-(2-piperidin-4-ylethyl)-1-benzothiophen-6-yl]carbonylamino]propanoic acid

Systemtic Name: 2-(butylsulfonylamino)-3-[[2-(2-piperidin-4-ylethyl)-1-benzothiophen-6-yl]carbonylamino]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[[2-[2-(4-piperidyl)ethyl]benzothiophene-6-carbonyl]amino]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[[oxo-[2-[2-(4-piperidinyl)ethyl]-1-benzothiophen-6-yl]methyl]amino]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[[2-(2-piperidin-4-ylethyl)-1-benzothiophene-6-carbonyl]amino]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[[2-[2-(4-piperidyl)ethyl]benzothiophene-6-carbonyl]amino]propionic acid Formula: C23H33N3O5S2 MolecularWeight: 495.65522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CNC(=O)C1=CC2=C(C=C1)C=C(S2)CCC3CCNCC3)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CNC(=O)C1=CC2=C(C=C1)C=C(S2)CCC3CCNCC3)C(=O)O

InChI

InChI=1S/C23H33N3O5S2/c1-2-3-12-33(30,31)26-20(23(28)29)15-25-22(27)18-6-5-17-13-19(32-21(17)14-18)7-4-16-8-10-24-11-9-16/h5-6,13-14,16,20,24,26H,2-4,7-12,15H2,1H3,(H,25,27)(H,28,29)