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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CN(CCOC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H26N4O4S/c1-24(15-16-30-20-8-3-2-4-9-20)18-22(27)25-11-13-26(14-12-25)31(28,29)21-10-6-5-7-19(21)17-23/h2-10H,11-16,18H2,1H3