4-methyl-3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]pentanoic acid

Systemtic Name: 4-methyl-3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]pentanoic acid Openeye Name: 4-methyl-3-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]pentanoic acid CAS Name: 4-methyl-3-[[3-[4-(2-pyridinylamino)butoxy]phenyl]sulfonylamino]pentanoic acid IUPAC Name: 4-methyl-3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]pentanoic acid Traditional Name: 4-methyl-3-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]valeric acid Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)O)NS(=O)(=O)C1=CC=CC(=C1)OCCCCNC2=CC=CC=N2

Isomeric SMILES

CC(C)C(CC(=O)O)NS(=O)(=O)C1=CC=CC(=C1)OCCCCNC2=CC=CC=N2

InChI

InChI=1S/C21H29N3O5S/c1-16(2)19(15-21(25)26)24-30(27,28)18-9-7-8-17(14-18)29-13-6-5-12-23-20-10-3-4-11-22-20/h3-4,7-11,14,16,19,24H,5-6,12-13,15H2,1-2H3,(H,22,23)(H,25,26)