2-[4-(2-ethylsulfanylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-ethylsulfanylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-ethylsulfanylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[2-(ethylthio)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-ethylsulfanylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(ethylthio)benzoyl]piperazino]sulfonylbenzonitrile Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H21N3O3S2/c1-2-27-18-9-5-4-8-17(18)20(24)22-11-13-23(14-12-22)28(25,26)19-10-6-3-7-16(19)15-21/h3-10H,2,11-14H2,1H3