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

Systemtic Name: 5-[3-[(3-chloranyl-3-phenyl-propyl)-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[(3-chloro-3-phenyl-propyl)-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[(3-chloro-3-phenylpropyl)-methylsulfonylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[(3-chloro-3-phenylpropyl)-methylsulfonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[(3-chloro-3-phenyl-propyl)-mesyl-amino]propyl]-2-thenoic acid Formula: C18H22ClNO4S2 MolecularWeight: 415.95458

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC1=CC=C(S1)C(=O)O)CCC(C2=CC=CC=C2)Cl

Isomeric SMILES

CS(=O)(=O)N(CCCC1=CC=C(S1)C(=O)O)CCC(C2=CC=CC=C2)Cl

InChI

InChI=1S/C18H22ClNO4S2/c1-26(23,24)20(13-11-16(19)14-6-3-2-4-7-14)12-5-8-15-9-10-17(25-15)18(21)22/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,21,22)