N-[(3,4-dichlorophenyl)methyl]-4-ethyl-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-4-ethyl-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide Openeye Name: N-[(3,4-dichlorophenyl)methyl]-4-ethyl-N-(p-tolylsulfonyl)piperazin-4-ium-1-carboxamide CAS Name: N-[(3,4-dichlorophenyl)methyl]-4-ethyl-N-(4-methylphenyl)sulfonyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-4-ethyl-N-(4-methylphenyl)sulfonylpiperazin-4-ium-1-carboxamide Traditional Name: N-(3,4-dichlorobenzyl)-4-ethyl-N-tosyl-piperazin-4-ium-1-carboxamide Formula: C21H26Cl2N3O3S+ MolecularWeight: 471.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)N(CC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)N(CC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25Cl2N3O3S/c1-3-24-10-12-25(13-11-24)21(27)26(15-17-6-9-19(22)20(23)14-17)30(28,29)18-7-4-16(2)5-8-18/h4-9,14H,3,10-13,15H2,1-2H3/p+1