2-[4-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[cyclopropyl(2-furylmethyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[cyclopropyl(2-furanylmethyl)amino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[cyclopropyl(furan-2-ylmethyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[cyclopropyl(2-furfuryl)amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CC1N(CC2=CC=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H24N4O4S/c22-14-17-4-1-2-6-20(17)30(27,28)25-11-9-23(10-12-25)21(26)16-24(18-7-8-18)15-19-5-3-13-29-19/h1-6,13,18H,7-12,15-16H2