N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-ethanoylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-ethanoylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: 4-(4-acetylphenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide CAS Name: 4-(4-acetylphenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-(4-acetylphenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide Traditional Name: 4-(4-acetylphenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H25N3O6S/c1-16(26)18-3-5-19(6-4-18)32(28,29)25-10-8-24(9-11-25)22(27)23-15-17-2-7-20-21(14-17)31-13-12-30-20/h2-7,14H,8-13,15H2,1H3,(H,23,27)