1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[4-(1-piperidylsulfonyl)phenyl]propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-[4-(1-piperidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 3-(4-piperidinosulfonylphenyl)-1-(4-piperonylpiperazino)propan-1-one Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H33N3O5S/c30-26(11-7-21-4-8-23(9-5-21)35(31,32)29-12-2-1-3-13-29)28-16-14-27(15-17-28)19-22-6-10-24-25(18-22)34-20-33-24/h4-6,8-10,18H,1-3,7,11-17,19-20H2