2-[4-(1-methylsulfonylpiperidin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(1-methylsulfonylpiperidin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(1-methylsulfonyl-3-piperidinyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(1-mesylnipecotoyl)piperazino]sulfonylbenzonitrile Formula: C18H24N4O5S2 MolecularWeight: 440.53696

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H24N4O5S2/c1-28(24,25)22-8-4-6-16(14-22)18(23)20-9-11-21(12-10-20)29(26,27)17-7-3-2-5-15(17)13-19/h2-3,5,7,16H,4,6,8-12,14H2,1H3