4-[2-[[(3E)-3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methylamino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[[(3E)-3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methylamino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[[(3E)-3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methylamino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[(3E)-3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methylamino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[[(3E)-3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methylamino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[(3E)-6-keto-3-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methylamino]ethyl]benzenesulfonamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C2C=CC(=O)C(=C2)CNCCC3=CC=C(C=C3)S(=O)(=O)N)N1

Isomeric SMILES

COC1=CC=C/C(=C\2/C=CC(=O)C(=C2)CNCCC3=CC=C(C=C3)S(=O)(=O)N)/N1

InChI

InChI=1S/C21H23N3O4S/c1-28-21-4-2-3-19(24-21)16-7-10-20(25)17(13-16)14-23-12-11-15-5-8-18(9-6-15)29(22,26)27/h2-10,13,23-24H,11-12,14H2,1H3,(H2,22,26,27)/b19-16+