(4-bromanyl-3-methyl-phenyl)sulfonyl-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)azanide

Systemtic Name: (4-bromanyl-3-methyl-phenyl)sulfonyl-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)azanide Openeye Name: (4-bromo-3-methyl-phenyl)sulfonyl-(2-morpholino-1,3-benzothiazol-6-yl)azanide CAS Name: (4-bromo-3-methylphenyl)sulfonyl-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]azanide IUPAC Name: (4-bromo-3-methylphenyl)sulfonyl-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)azanide Traditional Name: (4-bromo-3-methyl-phenyl)sulfonyl-(2-morpholino-1,3-benzothiazol-6-yl)azanide Formula: C18H17BrN3O3S2- MolecularWeight: 467.37988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)[N-]C2=CC3=C(C=C2)N=C(S3)N4CCOCC4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[N-]C2=CC3=C(C=C2)N=C(S3)N4CCOCC4)Br

InChI

InChI=1S/C18H17BrN3O3S2/c1-12-10-14(3-4-15(12)19)27(23,24)21-13-2-5-16-17(11-13)26-18(20-16)22-6-8-25-9-7-22/h2-5,10-11H,6-9H2,1H3/q-1