N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide

Systemtic Name: N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: 1,4-bis(benzenesulfonyl)-N-[2-(m-tolylmethylsulfanyl)ethyl]piperazine-2-carboxamide CAS Name: 1,4-bis(benzenesulfonyl)-N-[2-[(3-methylphenyl)methylthio]ethyl]-2-piperazinecarboxamide IUPAC Name: 1,4-bis(benzenesulfonyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]piperazine-2-carboxamide Traditional Name: 1,4-dibesyl-N-[2-[(3-methylbenzyl)thio]ethyl]piperazine-2-carboxamide Formula: C27H31N3O5S3 MolecularWeight: 573.74714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCNC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CSCCNC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O5S3/c1-22-9-8-10-23(19-22)21-36-18-15-28-27(31)26-20-29(37(32,33)24-11-4-2-5-12-24)16-17-30(26)38(34,35)25-13-6-3-7-14-25/h2-14,19,26H,15-18,20-21H2,1H3,(H,28,31)