4-ethyl-N-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-ethyl-N-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-ethyl-N-[2-(4-ethylanilino)-2-oxo-ethyl]-N-(p-tolylsulfonyl)piperazin-4-ium-1-carboxamide CAS Name: 4-ethyl-N-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-ethyl-N-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazin-4-ium-1-carboxamide Traditional Name: 4-ethyl-N-[2-(4-ethylanilino)-2-keto-ethyl]-N-tosyl-piperazin-4-ium-1-carboxamide Formula: C24H33N4O4S+ MolecularWeight: 473.60822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CN(C(=O)N2CC[NH+](CC2)CC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CN(C(=O)N2CC[NH+](CC2)CC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H32N4O4S/c1-4-20-8-10-21(11-9-20)25-23(29)18-28(24(30)27-16-14-26(5-2)15-17-27)33(31,32)22-12-6-19(3)7-13-22/h6-13H,4-5,14-18H2,1-3H3,(H,25,29)/p+1