7-[(4-tert-butylphenyl)methyl-thiophen-2-ylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[(4-tert-butylphenyl)methyl-thiophen-2-ylsulfonyl-amino]heptanoic acid Openeye Name: 7-[(4-tert-butylphenyl)methyl-(2-thienylsulfonyl)amino]heptanoic acid CAS Name: 7-[(4-tert-butylphenyl)methyl-thiophen-2-ylsulfonylamino]heptanoic acid IUPAC Name: 7-[(4-tert-butylphenyl)methyl-thiophen-2-ylsulfonylamino]heptanoic acid Traditional Name: 7-[(4-tert-butylbenzyl)-(2-thienylsulfonyl)amino]enanthic acid Formula: C22H31NO4S2 MolecularWeight: 437.61584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C22H31NO4S2/c1-22(2,3)19-13-11-18(12-14-19)17-23(15-7-5-4-6-9-20(24)25)29(26,27)21-10-8-16-28-21/h8,10-14,16H,4-7,9,15,17H2,1-3H3,(H,24,25)