6-[[(4-morpholin-4-ylsulfonylphenyl)methylamino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(4-morpholin-4-ylsulfonylphenyl)methylamino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(4-morpholinosulfonylphenyl)methylamino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[4-(4-morpholinylsulfonyl)phenyl]methylamino]methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(4-morpholin-4-ylsulfonylphenyl)methylamino]methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[(4-morpholinosulfonylbenzyl)amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C=C1

InChI

InChI=1S/C21H26N2O5S/c1-2-11-28-19-6-5-18(21(24)14-19)16-22-15-17-3-7-20(8-4-17)29(25,26)23-9-12-27-13-10-23/h3-8,14,16,22H,2,9-13,15H2,1H3