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

Systemtic Name: N-[2-methoxy-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-phenyl]ethanamide Openeye Name: N-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-methoxy-phenyl]acetamide CAS Name: N-[2-methoxy-5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-methoxyphenyl]acetamide Traditional Name: N-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-methoxy-phenyl]acetamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C20H25N3O4S/c1-16(24)21-19-14-18(8-9-20(19)27-2)28(25,26)23-12-10-22(11-13-23)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)/p+1