N-propyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide

Systemtic Name: N-propyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide Openeye Name: N-propyl-N-[3-[2-(4-pyridylamino)ethoxy]phenyl]benzenesulfonamide CAS Name: N-propyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide IUPAC Name: N-propyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide Traditional Name: N-propyl-N-[3-[2-(4-pyridylamino)ethoxy]phenyl]benzenesulfonamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC(=CC=C1)OCCNC2=CC=NC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCN(C1=CC(=CC=C1)OCCNC2=CC=NC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-2-16-25(29(26,27)22-9-4-3-5-10-22)20-7-6-8-21(18-20)28-17-15-24-19-11-13-23-14-12-19/h3-14,18H,2,15-17H2,1H3,(H,23,24)