2-[4-(2-phenoxypropanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-phenoxypropanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-phenoxypropanoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(1-oxo-2-phenoxypropyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-phenoxypropanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-phenoxypropanoyl)piperazino]sulfonylbenzonitrile Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)OC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S/c1-16(27-18-8-3-2-4-9-18)20(24)22-11-13-23(14-12-22)28(25,26)19-10-6-5-7-17(19)15-21/h2-10,16H,11-14H2,1H3