N-[2-(4-chlorophenyl)sulfanylethyl]-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: 1,4-bis(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]piperazine-2-carboxamide CAS Name: 1,4-bis(benzenesulfonyl)-N-[2-[(4-chlorophenyl)thio]ethyl]-2-piperazinecarboxamide IUPAC Name: 1,4-bis(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]piperazine-2-carboxamide Traditional Name: 1,4-dibesyl-N-[2-[(4-chlorophenyl)thio]ethyl]piperazine-2-carboxamide Formula: C25H26ClN3O5S3 MolecularWeight: 580.13904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN3O5S3/c26-20-11-13-21(14-12-20)35-18-15-27-25(30)24-19-28(36(31,32)22-7-3-1-4-8-22)16-17-29(24)37(33,34)23-9-5-2-6-10-23/h1-14,24H,15-19H2,(H,27,30)