N-(cyanomethyl)-N-[2-methoxy-3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide

Systemtic Name: N-(cyanomethyl)-N-[2-methoxy-3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide Openeye Name: N-(cyanomethyl)-N-[2-methoxy-3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl]benzenesulfonamide CAS Name: N-(cyanomethyl)-N-[2-methoxy-3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide IUPAC Name: N-(cyanomethyl)-N-[2-methoxy-3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide Traditional Name: N-(cyanomethyl)-N-[2-methoxy-3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl]benzenesulfonamide Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)N(CC#N)S(=O)(=O)C2=CC=CC=C2)OCCNC3=CC=NC=C3

Isomeric SMILES

CC1=CC(=CC(=C1OC)N(CC#N)S(=O)(=O)C2=CC=CC=C2)OCCNC3=CC=NC=C3

InChI

InChI=1S/C23H24N4O4S/c1-18-16-20(31-15-13-26-19-8-11-25-12-9-19)17-22(23(18)30-2)27(14-10-24)32(28,29)21-6-4-3-5-7-21/h3-9,11-12,16-17H,13-15H2,1-2H3,(H,25,26)