1-[(4-chlorophenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(4-chlorophenyl)methyl]-4-[4-(1-piperidylsulfonyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-[(4-chlorophenyl)methyl]-4-[4-(1-piperidinylsulfonyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-chlorobenzyl)-4-(4-piperidinosulfonylphenyl)sulfonyl-piperazin-1-ium Formula: C22H29ClN3O4S2+ MolecularWeight: 499.06636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H28ClN3O4S2/c23-20-6-4-19(5-7-20)18-24-14-16-26(17-15-24)32(29,30)22-10-8-21(9-11-22)31(27,28)25-12-2-1-3-13-25/h4-11H,1-3,12-18H2/p+1