2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[oxo-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thio]-1-pyrrolidino-ethanone Formula: C24H29N3O4S2 MolecularWeight: 487.63476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O4S2/c28-23(25-12-6-7-13-25)18-32-22-11-5-4-10-21(22)24(29)26-14-16-27(17-15-26)33(30,31)19-20-8-2-1-3-9-20/h1-5,8-11H,6-7,12-19H2