phenyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carboxylate

Systemtic Name: phenyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carboxylate Openeye Name: phenyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carboxylate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carboxylate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carboxylic acid phenyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)OC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)OC4=CC=CC=C4)OC1

InChI

InChI=1S/C20H22N2O6S/c23-20(28-16-5-2-1-3-6-16)21-9-11-22(12-10-21)29(24,25)17-7-8-18-19(15-17)27-14-4-13-26-18/h1-3,5-8,15H,4,9-14H2