N-(2-chlorophenyl)-3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: N-(2-chlorophenyl)-3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-N-(2-chlorophenyl)-3-(4-ethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide CAS Name: N-(2-chlorophenyl)-3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-(2-chlorophenyl)-3-(4-ethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: N-benzyl-N-(2-chlorophenyl)-3-(4-ethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C26H29ClN3O3S+ MolecularWeight: 499.04476

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C26H28ClN3O3S/c1-2-28-15-17-29(18-16-28)26(31)22-11-8-12-23(19-22)34(32,33)30(20-21-9-4-3-5-10-21)25-14-7-6-13-24(25)27/h3-14,19H,2,15-18,20H2,1H3/p+1