2-[4-[2-[(3-methoxyphenyl)methyl-methyl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[(3-methoxyphenyl)methyl-methyl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(3-methoxyphenyl)methyl-methyl-amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(3-methoxyphenyl)methyl-methylamino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[m-anisyl(methyl)amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c1-24(16-18-6-5-8-20(14-18)30-2)17-22(27)25-10-12-26(13-11-25)31(28,29)21-9-4-3-7-19(21)15-23/h3-9,14H,10-13,16-17H2,1-2H3