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

Systemtic Name: (2S)-N-[2-(4-methoxyphenyl)ethyl]-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: (2S)-1,4-bis(benzenesulfonyl)-N-[2-(4-methoxyphenyl)ethyl]piperazine-2-carboxamide CAS Name: (2S)-1,4-bis(benzenesulfonyl)-N-[2-(4-methoxyphenyl)ethyl]-2-piperazinecarboxamide IUPAC Name: (2S)-1,4-bis(benzenesulfonyl)-N-[2-(4-methoxyphenyl)ethyl]piperazine-2-carboxamide Traditional Name: (2S)-1,4-dibesyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-2-carboxamide Formula: C26H29N3O6S2 MolecularWeight: 543.65496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)[C@@H]2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O6S2/c1-35-22-14-12-21(13-15-22)16-17-27-26(30)25-20-28(36(31,32)23-8-4-2-5-9-23)18-19-29(25)37(33,34)24-10-6-3-7-11-24/h2-15,25H,16-20H2,1H3,(H,27,30)/t25-/m0/s1