4-[(2S)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[(2S)-3-[4-(2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[(2S)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[(2S)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-hydroxy-propoxy]benzonitrile Formula: C20H23ClN3O4S+ MolecularWeight: 436.93232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=C(C=C2)C#N)O)S(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=C(C=C2)C#N)O)S(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H22ClN3O4S/c21-19-3-1-2-4-20(19)29(26,27)24-11-9-23(10-12-24)14-17(25)15-28-18-7-5-16(13-22)6-8-18/h1-8,17,25H,9-12,14-15H2/p+1/t17-/m0/s1