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

Systemtic Name: 4-[[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]methylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[3-(1-azepanylsulfonyl)-4-methylanilino]methylidene]-2-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[3-(azepan-1-ylsulfonyl)-4-methylanilino]methylidene]-2-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC=C2C=CC(=O)C(=C2)O)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC=C2C=CC(=O)C(=C2)O)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H24N2O4S/c1-15-6-8-17(21-14-16-7-9-18(23)19(24)12-16)13-20(15)27(25,26)22-10-4-2-3-5-11-22/h6-9,12-14,21,24H,2-5,10-11H2,1H3