4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 4-[[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(4-piperonylpiperazine-1-carbonyl)piperidino]sulfonylbenzonitrile Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H28N4O5S/c26-16-19-1-4-22(5-2-19)35(31,32)29-9-7-21(8-10-29)25(30)28-13-11-27(12-14-28)17-20-3-6-23-24(15-20)34-18-33-23/h1-6,15,21H,7-14,17-18H2