3-[(5-ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide

Systemtic Name: 3-[(5-ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Openeye Name: 3-[(5-ethoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide CAS Name: 3-[(5-ethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide IUPAC Name: 3-[(5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Traditional Name: 3-[(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=CNC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)C1=O

Isomeric SMILES

CCOC1=CC=CC(=CNC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)C1=O

InChI

InChI=1S/C21H25N3O4S/c1-2-28-19-11-6-8-16(21(19)25)15-23-17-9-7-10-18(14-17)29(26,27)24-20-12-4-3-5-13-22-20/h6-11,14-15,23H,2-5,12-13H2,1H3,(H,22,24)