4-[[[4-(azepan-1-ylsulfonyl)phenyl]amino]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[[4-(azepan-1-ylsulfonyl)phenyl]amino]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-(azepan-1-ylsulfonyl)anilino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[4-(1-azepanylsulfonyl)anilino]methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-(azepan-1-ylsulfonyl)anilino]methylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)anilino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC=C3C=CC(=O)C=C3O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC=C3C=CC(=O)C=C3O

InChI

InChI=1S/C19H22N2O4S/c22-17-8-5-15(19(23)13-17)14-20-16-6-9-18(10-7-16)26(24,25)21-11-3-1-2-4-12-21/h5-10,13-14,20,23H,1-4,11-12H2