1-[2-(4-bromophenyl)carbonylpyrazolidin-1-yl]-2-[2-(phenylsulfonyl)ethylsulfanyl]ethanone

Systemtic Name: 1-[2-(4-bromophenyl)carbonylpyrazolidin-1-yl]-2-[2-(phenylsulfonyl)ethylsulfanyl]ethanone Openeye Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-1-[2-(4-bromobenzoyl)pyrazolidin-1-yl]ethanone CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-1-[2-[(4-bromophenyl)-oxomethyl]-1-pyrazolidinyl]ethanone IUPAC Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-1-[2-(4-bromobenzoyl)pyrazolidin-1-yl]ethanone Traditional Name: 2-(2-besylethylthio)-1-[2-(4-bromobenzoyl)pyrazolidin-1-yl]ethanone Formula: C20H21BrN2O4S2 MolecularWeight: 497.42574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=O)C2=CC=C(C=C2)Br)C(=O)CSCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(N(C1)C(=O)C2=CC=C(C=C2)Br)C(=O)CSCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21BrN2O4S2/c21-17-9-7-16(8-10-17)20(25)23-12-4-11-22(23)19(24)15-28-13-14-29(26,27)18-5-2-1-3-6-18/h1-3,5-10H,4,11-15H2