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

Systemtic Name: 1-[2-(4-chlorophenyl)ethenylsulfonyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine Openeye Name: 1-[2-(4-chlorophenyl)vinylsulfonyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine CAS Name: 1-[2-(4-chlorophenyl)ethenylsulfonyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine IUPAC Name: 1-[2-(4-chlorophenyl)ethenylsulfonyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine Traditional Name: 1-[2-(4-chlorophenyl)vinylsulfonyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C=CC2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C=CC2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H22ClNO4S/c22-18-7-4-16(5-8-18)10-14-28(24,25)23-11-1-3-19(23)17-6-9-20-21(15-17)27-13-2-12-26-20/h4-10,14-15,19H,1-3,11-13H2