2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[[4-[4-(2-thienylmethyl)piperazine-1-carbonyl]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 2-[[4-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(2-thenyl)piperazine-1-carbonyl]piperidino]sulfonylbenzonitrile Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=CS3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=CS3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H26N4O3S2/c23-16-19-4-1-2-6-21(19)31(28,29)26-9-7-18(8-10-26)22(27)25-13-11-24(12-14-25)17-20-5-3-15-30-20/h1-6,15,18H,7-14,17H2