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

Systemtic Name: 2-[4-[2-[methyl(thiophen-2-ylmethyl)amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[methyl(2-thienylmethyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[methyl(thiophen-2-ylmethyl)amino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[methyl(2-thenyl)amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CN(CC1=CC=CS1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H22N4O3S2/c1-21(14-17-6-4-12-27-17)15-19(24)22-8-10-23(11-9-22)28(25,26)18-7-3-2-5-16(18)13-20/h2-7,12H,8-11,14-15H2,1H3