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

Systemtic Name: N-(2-benzamidoethyl)-1-(5-bromanylthiophen-2-yl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-benzamidoethyl)-1-[(5-bromo-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide CAS Name: N-(2-benzamidoethyl)-1-[(5-bromo-2-thiophenyl)sulfonyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-benzamidoethyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-benzamidoethyl)-1-[(5-bromo-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide Formula: C18H20BrN3O4S2 MolecularWeight: 486.4031

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NCCNC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NCCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20BrN3O4S2/c19-15-8-9-16(27-15)28(25,26)22-12-4-7-14(22)18(24)21-11-10-20-17(23)13-5-2-1-3-6-13/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,20,23)(H,21,24)