N-(6-fluoranyl-7-phenylazanyl-1,3-benzothiazol-2-yl)-4-methoxy-3-[[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N-(6-fluoranyl-7-phenylazanyl-1,3-benzothiazol-2-yl)-4-methoxy-3-[[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]benzenesulfonamide Openeye Name: N-(7-anilino-6-fluoro-1,3-benzothiazol-2-yl)-4-methoxy-3-[[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]benzenesulfonamide CAS Name: N-(7-anilino-6-fluoro-1,3-benzothiazol-2-yl)-4-methoxy-3-[oxo-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]methyl]benzenesulfonamide IUPAC Name: N-(7-anilino-6-fluoro-1,3-benzothiazol-2-yl)-4-methoxy-3-[[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]benzenesulfonamide Traditional Name: N-(7-anilino-6-fluoro-1,3-benzothiazol-2-yl)-3-[[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]-4-methoxy-benzenesulfonamide Formula: C28H22FN5O5S2 MolecularWeight: 591.633183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C(=C(C=C3)F)NC4=CC=CC=C4)C(=O)NNC=C5C=CC(=O)C=C5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C(=C(C=C3)F)NC4=CC=CC=C4)C(=O)NNC=C5C=CC(=O)C=C5

InChI

InChI=1S/C28H22FN5O5S2/c1-39-24-14-11-20(15-21(24)27(36)33-30-16-17-7-9-19(35)10-8-17)41(37,38)34-28-32-23-13-12-22(29)25(26(23)40-28)31-18-5-3-2-4-6-18/h2-16,30-31H,1H3,(H,32,34)(H,33,36)