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

Systemtic Name: 3-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Openeye Name: 3-[(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide CAS Name: 3-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide IUPAC Name: 3-[(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Traditional Name: 3-[(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=CNC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)C1=O

Isomeric SMILES

COC1=CC=CC(=CNC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)C1=O

InChI

InChI=1S/C20H23N3O4S/c1-27-18-10-5-7-15(20(18)24)14-22-16-8-6-9-17(13-16)28(25,26)23-19-11-3-2-4-12-21-19/h5-10,13-14,22H,2-4,11-12H2,1H3,(H,21,23)