2-[4-[2-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C24H30N4O4S MolecularWeight: 470.5844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN(C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN(C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C24H30N4O4S/c1-19-14-20(2)16-22(15-19)32-13-12-26(3)18-24(29)27-8-10-28(11-9-27)33(30,31)23-7-5-4-6-21(23)17-25/h4-7,14-16H,8-13,18H2,1-3H3