N-methyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]-6-sulfanylidene-cyclohexa-1,3-diene-1-sulfonamide

Systemtic Name: N-methyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]-6-sulfanylidene-cyclohexa-1,3-diene-1-sulfonamide Openeye Name: N-methyl-N-[3-[2-(4-pyridylamino)ethoxy]phenyl]-6-thioxo-cyclohexa-1,3-diene-1-sulfonamide CAS Name: N-methyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]-6-sulfanylidene-1-cyclohexa-1,3-dienesulfonamide IUPAC Name: N-methyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]-6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide Traditional Name: N-methyl-N-[3-[2-(4-pyridylamino)ethoxy]phenyl]-6-thioxo-cyclohexa-1,3-diene-1-sulfonamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=CC=C1)OCCNC2=CC=NC=C2)S(=O)(=O)C3=CC=CCC3=S

Isomeric SMILES

CN(C1=CC(=CC=C1)OCCNC2=CC=NC=C2)S(=O)(=O)C3=CC=CCC3=S

InChI

InChI=1S/C20H21N3O3S2/c1-23(28(24,25)20-8-3-2-7-19(20)27)17-5-4-6-18(15-17)26-14-13-22-16-9-11-21-12-10-16/h2-6,8-12,15H,7,13-14H2,1H3,(H,21,22)