(4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]methanone

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]methanone Openeye Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-(o-tolylsulfonylmethyl)-2-furyl]methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-[5-[(2-methylphenyl)sulfonylmethyl]-2-furanyl]methanone IUPAC Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]methanone Traditional Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-(o-tolylsulfonylmethyl)-2-furyl]methanone Formula: C23H31N2O4S+ MolecularWeight: 431.56824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)N3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)N3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C23H30N2O4S/c1-18-7-5-6-10-22(18)30(27,28)17-20-11-12-21(29-20)23(26)25-15-13-24(14-16-25)19-8-3-2-4-9-19/h5-7,10-12,19H,2-4,8-9,13-17H2,1H3/p+1