3-(1-benzothiophen-3-yl)-2-[(4-tert-butylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-(1-benzothiophen-3-yl)-2-[(4-tert-butylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-(benzothiophen-3-yl)-2-[(4-tert-butylphenyl)sulfonylamino]propanoic acid CAS Name: 3-(1-benzothiophen-3-yl)-2-[(4-tert-butylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(1-benzothiophen-3-yl)-2-[(4-tert-butylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(benzothiophen-3-yl)-2-[(4-tert-butylphenyl)sulfonylamino]propionic acid Formula: C21H23NO4S2 MolecularWeight: 417.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CSC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CSC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C21H23NO4S2/c1-21(2,3)15-8-10-16(11-9-15)28(25,26)22-18(20(23)24)12-14-13-27-19-7-5-4-6-17(14)19/h4-11,13,18,22H,12H2,1-3H3,(H,23,24)