N-(1,3-benzothiazol-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-pyrrolidinosulfonyl-thiophene-2-carboxamide Formula: C17H17N3O3S3 MolecularWeight: 407.53018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(SC=C2)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(SC=C2)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H17N3O3S3/c21-17(18-11-15-19-12-5-1-2-6-13(12)25-15)16-14(7-10-24-16)26(22,23)20-8-3-4-9-20/h1-2,5-7,10H,3-4,8-9,11H2,(H,18,21)