5-[3-[(2,2-dimethyl-1-phenyl-propyl)-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[(2,2-dimethyl-1-phenyl-propyl)-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[(2,2-dimethyl-1-phenyl-propyl)-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[(2,2-dimethyl-1-phenylpropyl)-methylsulfonylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[(2,2-dimethyl-1-phenylpropyl)-methylsulfonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[(2,2-dimethyl-1-phenyl-propyl)-mesyl-amino]propyl]-2-thenoic acid Formula: C20H27NO4S2 MolecularWeight: 409.56268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=CC=CC=C1)N(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C(C1=CC=CC=C1)N(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C20H27NO4S2/c1-20(2,3)18(15-9-6-5-7-10-15)21(27(4,24)25)14-8-11-16-12-13-17(26-16)19(22)23/h5-7,9-10,12-13,18H,8,11,14H2,1-4H3,(H,22,23)