(2S)-1-(5-bromanylthiophen-2-yl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine

Systemtic Name: (2S)-1-(5-bromanylthiophen-2-yl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine Openeye Name: (2S)-1-[(5-bromo-2-thienyl)sulfonyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine CAS Name: (2S)-1-[(5-bromo-2-thiophenyl)sulfonyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine IUPAC Name: (2S)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine Traditional Name: (2S)-1-[(5-bromo-2-thienyl)sulfonyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine Formula: C17H18BrNO4S2 MolecularWeight: 444.36312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Br)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(S2)Br)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C17H18BrNO4S2/c18-16-6-7-17(24-16)25(20,21)19-8-1-3-13(19)12-4-5-14-15(11-12)23-10-2-9-22-14/h4-7,11,13H,1-3,8-10H2/t13-/m0/s1