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

Systemtic Name: (2S)-1-(3-bromophenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine Openeye Name: (2S)-1-(3-bromophenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine CAS Name: (2S)-1-(3-bromophenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine IUPAC Name: (2S)-1-(3-bromophenyl)sulfonyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine Traditional Name: (2S)-1-(3-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=C2)Br)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO4S/c20-15-4-1-5-16(13-15)26(22,23)21-9-2-6-17(21)14-7-8-18-19(12-14)25-11-3-10-24-18/h1,4-5,7-8,12-13,17H,2-3,6,9-11H2/t17-/m0/s1