ethyl N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]carbamate

Systemtic Name: ethyl N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]carbamate Openeye Name: ethyl N-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamate CAS Name: N-[4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamate Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamic acid ethyl ester Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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