5-(1,3-benzothiazol-2-yl)-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)thiophene-2-carboxamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)thiophene-2-carboxamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)thiophene-2-carboxamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-2-thiophenecarboxamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)thiophene-2-carboxamide Formula: C22H19N3O4S3 MolecularWeight: 485.59896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H19N3O4S3/c26-17-8-7-14(32(28,29)25-11-3-4-12-25)13-16(17)23-21(27)19-9-10-20(30-19)22-24-15-5-1-2-6-18(15)31-22/h1-2,5-10,13,26H,3-4,11-12H2,(H,23,27)