2-phenyl-2-phenylsulfanyl-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-phenyl-2-phenylsulfanyl-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-phenyl-2-phenylsulfanyl-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-phenyl-2-(phenylthio)-1-[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-phenyl-2-phenylsulfanyl-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-phenyl-2-(phenylthio)-1-(4-pyrrolidinosulfonylpiperazino)ethanone Formula: C22H27N3O3S2 MolecularWeight: 445.59808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S2/c26-22(21(19-9-3-1-4-10-19)29-20-11-5-2-6-12-20)23-15-17-25(18-16-23)30(27,28)24-13-7-8-14-24/h1-6,9-12,21H,7-8,13-18H2