[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-piperidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]methanone

Systemtic Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-piperidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]methanone Openeye Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-[4-(1-piperidylsulfonyl)benzoyl]piperazin-1-yl]methanone CAS Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]-1-piperazinyl]methanone IUPAC Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]methanone Traditional Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-piperidinosulfonylbenzoyl)piperazino]methanone Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)[C@H]4COC5=CC=CC=C5O4

InChI

InChI=1S/C25H29N3O6S/c29-24(19-8-10-20(11-9-19)35(31,32)28-12-4-1-5-13-28)26-14-16-27(17-15-26)25(30)23-18-33-21-6-2-3-7-22(21)34-23/h2-3,6-11,23H,1,4-5,12-18H2/t23-/m1/s1