4-[4-[3-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[3-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[3-[(methylthio)methyl]phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[3-[(methylthio)methyl]benzoyl]piperazino]sulfonylbenzonitrile Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21N3O3S2/c1-27-15-17-3-2-4-18(13-17)20(24)22-9-11-23(12-10-22)28(25,26)19-7-5-16(14-21)6-8-19/h2-8,13H,9-12,15H2,1H3