ethyl N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate

Systemtic Name: ethyl N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: ethyl N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate CAS Name: N-[2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate Traditional Name: N-[2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetyl]carbamic acid ethyl ester Formula: C17H26N3O6S+ MolecularWeight: 400.46984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6S/c1-3-25-14-5-7-15(8-6-14)27(23,24)20-11-9-19(10-12-20)13-16(21)18-17(22)26-4-2/h5-8H,3-4,9-13H2,1-2H3,(H,18,21,22)/p+1