N-[2-chloranyl-4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]sulfonyl-phenyl]ethanamide

Systemtic Name: N-[2-chloranyl-4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]sulfonyl-phenyl]ethanamide Openeye Name: N-[2-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]sulfonyl-phenyl]acetamide CAS Name: N-[2-chloro-4-[[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[2-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[2-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]sulfonyl-phenyl]acetamide Formula: C21H22ClN3O6S MolecularWeight: 479.93388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C21H22ClN3O6S/c1-14(26)23-17-7-6-15(12-16(17)22)32(28,29)25-10-8-24(9-11-25)21(27)20-13-30-18-4-2-3-5-19(18)31-20/h2-7,12,20H,8-11,13H2,1H3,(H,23,26)