3-[4-(furan-2-ylmethyl)-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(furan-2-ylmethyl)-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(2-furylmethyl)-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(2-furanylmethyl)-2-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(2-furfuryl)-2-(pyrrolidine-1-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC(=C3)C#N)CC4=CC=CO4

Isomeric SMILES

C1CCN(C1)C(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC(=C3)C#N)CC4=CC=CO4

InChI

InChI=1S/C21H24N4O4S/c22-14-17-5-3-7-19(13-17)30(27,28)25-11-10-23(15-18-6-4-12-29-18)16-20(25)21(26)24-8-1-2-9-24/h3-7,12-13,20H,1-2,8-11,15-16H2