5-[3-[3-(3-bromophenyl)propyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[3-(3-bromophenyl)propyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[3-(3-bromophenyl)propyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[3-(3-bromophenyl)propyl-methylsulfonylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[3-(3-bromophenyl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[3-(3-bromophenyl)propyl-mesyl-amino]propyl]-2-thenoic acid Formula: C18H22BrNO4S2 MolecularWeight: 460.40558

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC1=CC(=CC=C1)Br)CCCC2=CC=C(S2)C(=O)O

Isomeric SMILES

CS(=O)(=O)N(CCCC1=CC(=CC=C1)Br)CCCC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C18H22BrNO4S2/c1-26(23,24)20(11-3-6-14-5-2-7-15(19)13-14)12-4-8-16-9-10-17(25-16)18(21)22/h2,5,7,9-10,13H,3-4,6,8,11-12H2,1H3,(H,21,22)