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

Systemtic Name: 2-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]butanedioic acid Openeye Name: 2-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]butanedioic acid CAS Name: 2-[[3-[4-(2-pyridinylamino)butoxy]phenyl]sulfonylamino]butanedioic acid IUPAC Name: 2-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]butanedioic acid Traditional Name: 2-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]succinic acid Formula: C19H23N3O7S MolecularWeight: 437.46682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NCCCCOC2=CC(=CC=C2)S(=O)(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)NCCCCOC2=CC(=CC=C2)S(=O)(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C19H23N3O7S/c23-18(24)13-16(19(25)26)22-30(27,28)15-7-5-6-14(12-15)29-11-4-3-10-21-17-8-1-2-9-20-17/h1-2,5-9,12,16,22H,3-4,10-11,13H2,(H,20,21)(H,23,24)(H,25,26)