(2S)-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide

Systemtic Name: (2S)-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: (2S)-1,4-bis(benzenesulfonyl)-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]piperazine-2-carboxamide CAS Name: (2S)-1,4-bis(benzenesulfonyl)-N-[2-[(2-chlorophenyl)methylthio]ethyl]-2-piperazinecarboxamide IUPAC Name: (2S)-1,4-bis(benzenesulfonyl)-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]piperazine-2-carboxamide Traditional Name: (2S)-1,4-dibesyl-N-[2-[(2-chlorobenzyl)thio]ethyl]piperazine-2-carboxamide Formula: C26H28ClN3O5S3 MolecularWeight: 594.16562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1S(=O)(=O)C2=CC=CC=C2)C(=O)NCCSCC3=CC=CC=C3Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN([C@@H](CN1S(=O)(=O)C2=CC=CC=C2)C(=O)NCCSCC3=CC=CC=C3Cl)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28ClN3O5S3/c27-24-14-8-7-9-21(24)20-36-18-15-28-26(31)25-19-29(37(32,33)22-10-3-1-4-11-22)16-17-30(25)38(34,35)23-12-5-2-6-13-23/h1-14,25H,15-20H2,(H,28,31)/t25-/m0/s1