N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-fluoro-benzothiophene-2-carboxamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-4-fluoro-1-benzothiophene-2-carboxamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-4-fluoro-benzothiophene-2-carboxamide Formula: C19H16ClFN2O3S2 MolecularWeight: 438.923343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=CC=C4S3)F)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=CC=C4S3)F)Cl

InChI

InChI=1S/C19H16ClFN2O3S2/c20-14-7-6-12(10-18(14)28(25,26)23-8-1-2-9-23)22-19(24)17-11-13-15(21)4-3-5-16(13)27-17/h3-7,10-11H,1-2,8-9H2,(H,22,24)