N,N-bis(phenylmethyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-bis(phenylmethyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-dibenzyl-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N,N-bis(phenylmethyl)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-dibenzyl-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N,N-dibenzyl-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C29H36N3O3S+ MolecularWeight: 506.67944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H35N3O3S/c1-24(2)27-13-15-28(16-14-27)36(34,35)32-19-17-30(18-20-32)23-29(33)31(21-25-9-5-3-6-10-25)22-26-11-7-4-8-12-26/h3-16,24H,17-23H2,1-2H3/p+1