N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-methyl-4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-sulfonamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-methyl-4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-sulfonamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-methyl-4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-sulfonamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-sulfonamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-sulfonamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-keto-2-methyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-sulfonamide Formula: C19H17ClN3O4S2+ MolecularWeight: 450.93898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NS(=O)(=O)C2=C(NC3=[N+](C2=O)C4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NS(=O)(=O)C2=C(NC3=[N+](C2=O)C4=CC=CC=C4S3)C

InChI

InChI=1S/C19H16ClN3O4S2/c1-10-8-13(15(27-3)9-12(10)20)22-29(25,26)17-11(2)21-19-23(18(17)24)14-6-4-5-7-16(14)28-19/h4-9,22H,1-3H3/p+1