N-[(4-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-[(4-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-carbonyl)benzenesulfonamide CAS Name: N-[(4-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]benzenesulfonamide IUPAC Name: N-[(4-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: N-(4-chlorobenzyl)-3-(4-methylpiperazin-4-ium-1-carbonyl)-N-o-phenetyl-benzenesulfonamide Formula: C27H31ClN3O4S+ MolecularWeight: 529.07074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CCOC1=CC=CC=C1N(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C27H30ClN3O4S/c1-3-35-26-10-5-4-9-25(26)31(20-21-11-13-23(28)14-12-21)36(33,34)24-8-6-7-22(19-24)27(32)30-17-15-29(2)16-18-30/h4-14,19H,3,15-18,20H2,1-2H3/p+1