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

Systemtic Name: 5-[3-[methylsulfonyl(3-phenylpropyl)amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[methylsulfonyl(3-phenylpropyl)amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[methylsulfonyl(3-phenylpropyl)amino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[methylsulfonyl(3-phenylpropyl)amino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[mesyl(3-phenylpropyl)amino]propyl]-2-thenoic acid Formula: C18H23NO4S2 MolecularWeight: 381.50952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO4S2/c1-25(22,23)19(13-5-9-15-7-3-2-4-8-15)14-6-10-16-11-12-17(24-16)18(20)21/h2-4,7-8,11-12H,5-6,9-10,13-14H2,1H3,(H,20,21)