3-[4-[2-(phenylsulfonyl)ethyl]-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[2-(phenylsulfonyl)ethyl]-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[2-(benzenesulfonyl)ethyl]-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[2-(benzenesulfonyl)ethyl]-2-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[2-(benzenesulfonyl)ethyl]-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(2-besylethyl)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]benzonitrile Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CN(CCN2C(=O)C3=CC=CC(=C3)C#N)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2CN(CCN2C(=O)C3=CC=CC(=C3)C#N)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O4S/c26-18-20-7-6-8-21(17-20)24(30)29-14-13-27(19-23(29)25(31)28-11-4-5-12-28)15-16-34(32,33)22-9-2-1-3-10-22/h1-3,6-10,17,23H,4-5,11-16,19H2