3-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]sulfonylpiperazin-1-yl]propanenitrile CAS Name: 3-[4-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]sulfonyl-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-yl]propanenitrile Traditional Name: 3-[4-[4-(4-methylpiperidino)sulfonylphenyl]sulfonylpiperazino]propionitrile Formula: C19H28N4O4S2 MolecularWeight: 440.58002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CCC#N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CCC#N

InChI

InChI=1S/C19H28N4O4S2/c1-17-7-11-22(12-8-17)28(24,25)18-3-5-19(6-4-18)29(26,27)23-15-13-21(14-16-23)10-2-9-20/h3-6,17H,2,7-8,10-16H2,1H3