ethyl 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O7S/c1-2-31-22(27)18-4-6-19(7-5-18)34(29,30)26-11-9-25(10-12-26)23(28)24-16-17-3-8-20-21(15-17)33-14-13-32-20/h3-8,15H,2,9-14,16H2,1H3,(H,24,28)