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

Systemtic Name: N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)heptanamide Openeye Name: N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)heptanamide CAS Name: N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]heptanamide IUPAC Name: N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)heptanamide Traditional Name: N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)enanthamide Formula: C18H25N3O3S2 MolecularWeight: 395.5394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCCCCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H25N3O3S2/c1-2-3-4-5-8-17(22)20-18-19-15-10-9-14(13-16(15)25-18)26(23,24)21-11-6-7-12-21/h9-10,13H,2-8,11-12H2,1H3,(H,19,20,22)