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

Systemtic Name: (2S)-1-(2-bromophenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine Openeye Name: (2S)-1-(2-bromophenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine CAS Name: (2S)-1-(2-bromophenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine IUPAC Name: (2S)-1-(2-bromophenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine Traditional Name: (2S)-1-(2-bromophenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine Formula: C19H20BrNO4S MolecularWeight: 438.3354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2Br)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC=C2Br)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H20BrNO4S/c20-15-5-1-2-7-19(15)26(22,23)21-10-3-6-16(21)14-8-9-17-18(13-14)25-12-4-11-24-17/h1-2,5,7-9,13,16H,3-4,6,10-12H2/t16-/m0/s1