3,6-bis(chloranyl)-N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-2-yl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazolyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[4-(4-pyrrolidinosulfonylphenyl)thiazol-2-yl]benzothiophene-2-carboxamide Formula: C22H17Cl2N3O3S3 MolecularWeight: 538.48968

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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=C(S4)C=C(C=C5)Cl)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

InChI

InChI=1S/C22H17Cl2N3O3S3/c23-14-5-8-16-18(11-14)32-20(19(16)24)21(28)26-22-25-17(12-31-22)13-3-6-15(7-4-13)33(29,30)27-9-1-2-10-27/h3-8,11-12H,1-2,9-10H2,(H,25,26,28)