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

Systemtic Name: 4-[4-[1-(2-methylpropanoyl)piperidin-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[1-(2-methyl-1-oxopropyl)-3-piperidinyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[1-(2-methylpropanoyl)piperidine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(1-isobutyrylnipecotoyl)piperazino]sulfonylbenzonitrile Formula: C21H28N4O4S MolecularWeight: 432.53642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-16(2)20(26)24-9-3-4-18(15-24)21(27)23-10-12-25(13-11-23)30(28,29)19-7-5-17(14-22)6-8-19/h5-8,16,18H,3-4,9-13,15H2,1-2H3