(2S)-N-(2-methoxy-5-methyl-phenyl)-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide

Systemtic Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: (2S)-1,4-bis(benzenesulfonyl)-N-(2-methoxy-5-methyl-phenyl)piperazine-2-carboxamide CAS Name: (2S)-1,4-bis(benzenesulfonyl)-N-(2-methoxy-5-methylphenyl)-2-piperazinecarboxamide IUPAC Name: (2S)-1,4-bis(benzenesulfonyl)-N-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide Traditional Name: (2S)-1,4-dibesyl-N-(2-methoxy-5-methyl-phenyl)piperazine-2-carboxamide Formula: C25H27N3O6S2 MolecularWeight: 529.62838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@@H]2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O6S2/c1-19-13-14-24(34-2)22(17-19)26-25(29)23-18-27(35(30,31)20-9-5-3-6-10-20)15-16-28(23)36(32,33)21-11-7-4-8-12-21/h3-14,17,23H,15-16,18H2,1-2H3,(H,26,29)/t23-/m0/s1