7-[(4-pyrazin-2-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[(4-pyrazin-2-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]heptanoic acid Openeye Name: 7-[(4-pyrazin-2-ylphenyl)methyl-(3-pyridylsulfonyl)amino]heptanoic acid CAS Name: 7-[[4-(2-pyrazinyl)phenyl]methyl-(3-pyridinylsulfonyl)amino]heptanoic acid IUPAC Name: 7-[(4-pyrazin-2-ylphenyl)methyl-pyridin-3-ylsulfonylamino]heptanoic acid Traditional Name: 7-[(4-pyrazin-2-ylbenzyl)-(3-pyridylsulfonyl)amino]enanthic acid Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)S(=O)(=O)N(CCCCCCC(=O)O)CC2=CC=C(C=C2)C3=NC=CN=C3

Isomeric SMILES

C1=CC(=CN=C1)S(=O)(=O)N(CCCCCCC(=O)O)CC2=CC=C(C=C2)C3=NC=CN=C3

InChI

InChI=1S/C23H26N4O4S/c28-23(29)7-3-1-2-4-15-27(32(30,31)21-6-5-12-24-16-21)18-19-8-10-20(11-9-19)22-17-25-13-14-26-22/h5-6,8-14,16-17H,1-4,7,15,18H2,(H,28,29)