N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-piperidino-3-piperidinosulfonyl-benzamide Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3COC4=CC=CC=C4O3)S(=O)(=O)N5CCCCC5

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC[C@H]3COC4=CC=CC=C4O3)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C26H33N3O5S/c30-26(27-18-21-19-33-23-9-3-4-10-24(23)34-21)20-11-12-22(28-13-5-1-6-14-28)25(17-20)35(31,32)29-15-7-2-8-16-29/h3-4,9-12,17,21H,1-2,5-8,13-16,18-19H2,(H,27,30)/t21-/m0/s1