N-[2,6-di(propan-2-yl)phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-diisopropylphenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-diisopropylphenyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C25H36N3O3S+ MolecularWeight: 458.63664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C(C)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C(C)C)C(C)C

InChI

InChI=1S/C25H35N3O3S/c1-18(2)22-7-6-8-23(19(3)4)25(22)26-24(29)17-27-13-15-28(16-14-27)32(30,31)21-11-9-20(5)10-12-21/h6-12,18-19H,13-17H2,1-5H3,(H,26,29)/p+1