2-[4-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(3-methyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-keto-2-(3-methylpiperidino)ethyl]piperazino]sulfonylbenzonitrile Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1CCCN(C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H26N4O3S/c1-16-5-4-8-22(14-16)19(24)15-21-9-11-23(12-10-21)27(25,26)18-7-3-2-6-17(18)13-20/h2-3,6-7,16H,4-5,8-12,14-15H2,1H3