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

Systemtic Name: 2-[4-[2-[methyl(naphthalen-2-ylmethyl)amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[methyl(2-naphthylmethyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[methyl(2-naphthalenylmethyl)amino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[methyl(2-naphthylmethyl)amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=CC=CC=C2C=C1)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CN(CC1=CC2=CC=CC=C2C=C1)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H26N4O3S/c1-27(18-20-10-11-21-6-2-3-7-22(21)16-20)19-25(30)28-12-14-29(15-13-28)33(31,32)24-9-5-4-8-23(24)17-26/h2-11,16H,12-15,18-19H2,1H3