N-(2,6-diethylphenyl)-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide

Systemtic Name: N-(2,6-diethylphenyl)-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: 1,4-bis(benzenesulfonyl)-N-(2,6-diethylphenyl)piperazine-2-carboxamide CAS Name: 1,4-bis(benzenesulfonyl)-N-(2,6-diethylphenyl)-2-piperazinecarboxamide IUPAC Name: 1,4-bis(benzenesulfonyl)-N-(2,6-diethylphenyl)piperazine-2-carboxamide Traditional Name: 1,4-dibesyl-N-(2,6-diethylphenyl)piperazine-2-carboxamide Formula: C27H31N3O5S2 MolecularWeight: 541.68214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O5S2/c1-3-21-12-11-13-22(4-2)26(21)28-27(31)25-20-29(36(32,33)23-14-7-5-8-15-23)18-19-30(25)37(34,35)24-16-9-6-10-17-24/h5-17,25H,3-4,18-20H2,1-2H3,(H,28,31)