N-[2-ethoxy-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-phenyl]ethanamide

Systemtic Name: N-[2-ethoxy-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-phenyl]ethanamide Openeye Name: N-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-ethoxy-phenyl]acetamide CAS Name: N-[2-ethoxy-5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-ethoxyphenyl]acetamide Traditional Name: N-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-ethoxy-phenyl]acetamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C21H27N3O4S/c1-3-28-21-10-9-19(15-20(21)22-17(2)25)29(26,27)24-13-11-23(12-14-24)16-18-7-5-4-6-8-18/h4-10,15H,3,11-14,16H2,1-2H3,(H,22,25)/p+1