2-chloranyl-4-[(2S,5R)-4-(4-cyanophenyl)sulfonyl-2,5-dimethyl-piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[(2S,5R)-4-(4-cyanophenyl)sulfonyl-2,5-dimethyl-piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-chloro-4-[(2S,5R)-4-(4-cyanophenyl)sulfonyl-2,5-dimethyl-piperazin-1-yl]benzonitrile CAS Name: 2-chloro-4-[(2S,5R)-4-(4-cyanophenyl)sulfonyl-2,5-dimethyl-1-piperazinyl]benzonitrile IUPAC Name: 2-chloro-4-[(2S,5R)-4-(4-cyanophenyl)sulfonyl-2,5-dimethylpiperazin-1-yl]benzonitrile Traditional Name: 2-chloro-4-[(2S,5R)-4-(4-cyanophenyl)sulfonyl-2,5-dimethyl-piperazino]benzonitrile Formula: C20H19ClN4O2S MolecularWeight: 414.90846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1S(=O)(=O)C2=CC=C(C=C2)C#N)C)C3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

C[C@@H]1CN([C@H](CN1S(=O)(=O)C2=CC=C(C=C2)C#N)C)C3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H19ClN4O2S/c1-14-13-25(28(26,27)19-7-3-16(10-22)4-8-19)15(2)12-24(14)18-6-5-17(11-23)20(21)9-18/h3-9,14-15H,12-13H2,1-2H3/t14-,15+/m0/s1