2-[4-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[4-(o-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-keto-2-[4-(2-methylbenzyl)piperazino]ethyl]piperazino]sulfonylbenzonitrile Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H31N5O3S/c1-21-6-2-3-8-23(21)19-27-10-14-29(15-11-27)25(31)20-28-12-16-30(17-13-28)34(32,33)24-9-5-4-7-22(24)18-26/h2-9H,10-17,19-20H2,1H3