5-[3-[(4-butylphenyl)methyl-propylsulfonyl-amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[(4-butylphenyl)methyl-propylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[(4-butylphenyl)methyl-propylsulfonyl-amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[(4-butylphenyl)methyl-propylsulfonylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[(4-butylphenyl)methyl-propylsulfonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[(4-butylbenzyl)-propylsulfonyl-amino]propyl]-2-thenoic acid Formula: C22H31NO4S2 MolecularWeight: 437.61584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)CCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)CCC

InChI

InChI=1S/C22H31NO4S2/c1-3-5-7-18-9-11-19(12-10-18)17-23(29(26,27)16-4-2)15-6-8-20-13-14-21(28-20)22(24)25/h9-14H,3-8,15-17H2,1-2H3,(H,24,25)