N-(1,3-benzodioxol-5-ylmethyl)-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1,4-bis(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: 1,4-bis(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)piperazine-2-carboxamide CAS Name: 1,4-bis(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-piperazinecarboxamide IUPAC Name: 1,4-bis(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)piperazine-2-carboxamide Traditional Name: 1,4-dibesyl-N-piperonyl-piperazine-2-carboxamide Formula: C25H25N3O7S2 MolecularWeight: 543.6119

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1S(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(C(CN1S(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H25N3O7S2/c29-25(26-16-19-11-12-23-24(15-19)35-18-34-23)22-17-27(36(30,31)20-7-3-1-4-8-20)13-14-28(22)37(32,33)21-9-5-2-6-10-21/h1-12,15,22H,13-14,16-18H2,(H,26,29)