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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C2=CN=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C2=CN=CC=C2

InChI

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