N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-ethanamide

Systemtic Name: N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-ethanamide Openeye Name: N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)-2-(2-thienyl)acetamide CAS Name: N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]-2-thiophen-2-ylacetamide IUPAC Name: N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide Traditional Name: N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)-2-(2-thienyl)acetamide Formula: C17H17N3O3S3 MolecularWeight: 407.53018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CC4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C17H17N3O3S3/c21-16(10-12-4-3-9-24-12)19-17-18-14-6-5-13(11-15(14)25-17)26(22,23)20-7-1-2-8-20/h3-6,9,11H,1-2,7-8,10H2,(H,18,19,21)