N-(4-acetamidophenyl)-1-(5-bromanylthiophen-2-yl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-acetamidophenyl)-1-(5-bromanylthiophen-2-yl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-acetamidophenyl)-1-[(5-bromo-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide CAS Name: N-(4-acetamidophenyl)-1-[(5-bromo-2-thiophenyl)sulfonyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4-acetamidophenyl)-1-[(5-bromo-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide Formula: C17H18BrN3O4S2 MolecularWeight: 472.37652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H18BrN3O4S2/c1-11(22)19-12-4-6-13(7-5-12)20-17(23)14-3-2-10-21(14)27(24,25)16-9-8-15(18)26-16/h4-9,14H,2-3,10H2,1H3,(H,19,22)(H,20,23)