N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)heptanamide

Systemtic Name: N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)heptanamide Openeye Name: N-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)heptanamide CAS Name: N-[6-(4-morpholinylsulfonyl)-1,3-benzothiazol-2-yl]heptanamide IUPAC Name: N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)heptanamide Traditional Name: N-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)enanthamide Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCCCCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H25N3O4S2/c1-2-3-4-5-6-17(22)20-18-19-15-8-7-14(13-16(15)26-18)27(23,24)21-9-11-25-12-10-21/h7-8,13H,2-6,9-12H2,1H3,(H,19,20,22)