N-(2-phenylsulfanylethyl)-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide

Systemtic Name: N-(2-phenylsulfanylethyl)-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: 1,4-bis(benzenesulfonyl)-N-(2-phenylsulfanylethyl)piperazine-2-carboxamide CAS Name: 1,4-bis(benzenesulfonyl)-N-[2-(phenylthio)ethyl]-2-piperazinecarboxamide IUPAC Name: 1,4-bis(benzenesulfonyl)-N-(2-phenylsulfanylethyl)piperazine-2-carboxamide Traditional Name: 1,4-dibesyl-N-[2-(phenylthio)ethyl]piperazine-2-carboxamide Formula: C25H27N3O5S3 MolecularWeight: 545.69398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1S(=O)(=O)C2=CC=CC=C2)C(=O)NCCSC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(CN1S(=O)(=O)C2=CC=CC=C2)C(=O)NCCSC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5S3/c29-25(26-16-19-34-21-10-4-1-5-11-21)24-20-27(35(30,31)22-12-6-2-7-13-22)17-18-28(24)36(32,33)23-14-8-3-9-15-23/h1-15,24H,16-20H2,(H,26,29)