N-(1,3-benzothiazol-2-ylmethyl)-1-(5-bromanylthiophen-2-yl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(5-bromanylthiophen-2-yl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[(5-bromo-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[(5-bromo-2-thiophenyl)sulfonyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[(5-bromo-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide Formula: C17H16BrN3O3S3 MolecularWeight: 486.42624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H16BrN3O3S3/c18-14-7-8-16(26-14)27(23,24)21-9-3-5-12(21)17(22)19-10-15-20-11-4-1-2-6-13(11)25-15/h1-2,4,6-8,12H,3,5,9-10H2,(H,19,22)