3-[2-morpholin-4-ylcarbonyl-4-(phenylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[2-morpholin-4-ylcarbonyl-4-(phenylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-benzyl-2-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[2-[4-morpholinyl(oxo)methyl]-4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-benzyl-2-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-benzyl-2-(morpholine-4-carbonyl)piperazino]sulfonylbenzonitrile Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=CC=C2)C(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(C(CN1CC2=CC=CC=C2)C(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H26N4O4S/c24-16-20-7-4-8-21(15-20)32(29,30)27-10-9-25(17-19-5-2-1-3-6-19)18-22(27)23(28)26-11-13-31-14-12-26/h1-8,15,22H,9-14,17-18H2