1-[2-(4-bromophenyl)sulfonylethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine

Systemtic Name: 1-[2-(4-bromophenyl)sulfonylethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine Openeye Name: 1-[2-(4-bromophenyl)sulfonylethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine CAS Name: 1-[2-(4-bromophenyl)sulfonylethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine IUPAC Name: 1-[2-(4-bromophenyl)sulfonylethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine Traditional Name: 1-(2-brosylethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine Formula: C21H24BrNO4S MolecularWeight: 466.38856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO4S/c22-17-5-7-18(8-6-17)28(24,25)14-11-23-10-1-3-19(23)16-4-9-20-21(15-16)27-13-2-12-26-20/h4-9,15,19H,1-3,10-14H2