7-[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]heptanoic acid Openeye Name: 7-[(4-tert-butylphenyl)methyl-(3-pyridylsulfonyl)amino]heptanoic acid CAS Name: 7-[(4-tert-butylphenyl)methyl-(3-pyridinylsulfonyl)amino]heptanoic acid IUPAC Name: 7-[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]heptanoic acid Traditional Name: 7-[(4-tert-butylbenzyl)-(3-pyridylsulfonyl)amino]enanthic acid Formula: C23H32N2O4S MolecularWeight: 432.57618

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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=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O4S/c1-23(2,3)20-13-11-19(12-14-20)18-25(16-7-5-4-6-10-22(26)27)30(28,29)21-9-8-15-24-17-21/h8-9,11-15,17H,4-7,10,16,18H2,1-3H3,(H,26,27)