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

Systemtic Name: (2S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-phenethyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-phenethyl-pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(5-bromo-2-thiophenyl)sulfonyl]-N-phenethyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(5-bromothiophen-2-yl)sulfonyl-N-phenethylpyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-phenethyl-pyrrolidine-2-carboxamide Formula: C17H19BrN2O3S2 MolecularWeight: 443.37836

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C17H19BrN2O3S2/c18-15-8-9-16(24-15)25(22,23)20-12-4-7-14(20)17(21)19-11-10-13-5-2-1-3-6-13/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,19,21)/t14-/m0/s1