2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanamide Openeye Name: N-[(E)-(4-isopropylphenyl)methyleneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide Traditional Name: N-[(E)-(4-isopropylbenzylidene)amino]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NN=CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N/N=C/C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H30N4O3S/c1-18(2)21-8-6-20(7-9-21)16-24-25-23(28)17-26-12-14-27(15-13-26)31(29,30)22-10-4-19(3)5-11-22/h4-11,16,18H,12-15,17H2,1-3H3,(H,25,28)/p+1/b24-16+