4-[4-(1-propylsulfonylpiperidin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(1-propylsulfonylpiperidin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-(1-propylsulfonyl-3-piperidinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(1-propylsulfonylnipecotoyl)piperazino]sulfonylbenzonitrile Formula: C20H28N4O5S2 MolecularWeight: 468.59012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O5S2/c1-2-14-30(26,27)24-9-3-4-18(16-24)20(25)22-10-12-23(13-11-22)31(28,29)19-7-5-17(15-21)6-8-19/h5-8,18H,2-4,9-14,16H2,1H3