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

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C18H16FN3O3S2 MolecularWeight: 405.466343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C18H16FN3O3S2/c19-14-4-3-5-15-16(14)20-18(26-15)21-17(23)12-6-8-13(9-7-12)27(24,25)22-10-1-2-11-22/h3-9H,1-2,10-11H2,(H,20,21,23)