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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: 1,4-bis(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-2-carboxamide CAS Name: 1,4-bis(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazinecarboxamide IUPAC Name: 1,4-bis(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-2-carboxamide Traditional Name: 1,4-dibesyl-N-homoveratryl-piperazine-2-carboxamide Formula: C27H31N3O7S2 MolecularWeight: 573.68094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O7S2/c1-36-25-14-13-21(19-26(25)37-2)15-16-28-27(31)24-20-29(38(32,33)22-9-5-3-6-10-22)17-18-30(24)39(34,35)23-11-7-4-8-12-23/h3-14,19,24H,15-18,20H2,1-2H3,(H,28,31)