3-chloranyl-N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-2-yl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazolyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(4-pyrrolidinosulfonylphenyl)thiazol-2-yl]benzothiophene-2-carboxamide Formula: C22H18ClN3O3S3 MolecularWeight: 504.04462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C22H18ClN3O3S3/c23-19-16-5-1-2-6-18(16)31-20(19)21(27)25-22-24-17(13-30-22)14-7-9-15(10-8-14)32(28,29)26-11-3-4-12-26/h1-2,5-10,13H,3-4,11-12H2,(H,24,25,27)