3-[4-[(5-chloranylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[(5-chloranylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[(5-chloro-2-thienyl)methyl]-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[(5-chloro-2-thiophenyl)methyl]-2-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[(5-chlorothiophen-2-yl)methyl]-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[(5-chloro-2-thienyl)methyl]-2-(pyrrolidine-1-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H23ClN4O3S2 MolecularWeight: 479.01532

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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=C(S4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC(=C3)C#N)CC4=CC=C(S4)Cl

InChI

InChI=1S/C21H23ClN4O3S2/c22-20-7-6-17(30-20)14-24-10-11-26(19(15-24)21(27)25-8-1-2-9-25)31(28,29)18-5-3-4-16(12-18)13-23/h3-7,12,19H,1-2,8-11,14-15H2