N-cyclohexyl-N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclohexyl-N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclohexyl-N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-cyclohexyl-N-phenyl-2-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclohexyl-N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclohexyl-N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C27H38N3O3S+ MolecularWeight: 484.67392

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H37N3O3S/c1-2-9-23-14-16-26(17-15-23)34(32,33)29-20-18-28(19-21-29)22-27(31)30(24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3,5-6,10-11,14-17,25H,2,4,7-9,12-13,18-22H2,1H3/p+1