2-[4-[2-[(2,4-dichlorophenyl)methyl-methyl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[(2,4-dichlorophenyl)methyl-methyl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(2,4-dichlorophenyl)methyl-methyl-amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(2,4-dichlorophenyl)methyl-methylamino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(2,4-dichlorobenzyl)-methyl-amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C21H22Cl2N4O3S MolecularWeight: 481.39538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N4O3S/c1-25(14-17-6-7-18(22)12-19(17)23)15-21(28)26-8-10-27(11-9-26)31(29,30)20-5-3-2-4-16(20)13-24/h2-7,12H,8-11,14-15H2,1H3