N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methoxy-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C19H18FN3O4S2 MolecularWeight: 435.492323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)F)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)F)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H18FN3O4S2/c1-27-15-7-4-12(10-17(15)29(25,26)23-8-2-3-9-23)18(24)22-19-21-14-6-5-13(20)11-16(14)28-19/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22,24)