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

Systemtic Name: methyl N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H24N3O6S+ MolecularWeight: 386.44326

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O6S/c1-3-25-13-4-6-14(7-5-13)26(22,23)19-10-8-18(9-11-19)12-15(20)17-16(21)24-2/h4-7H,3,8-12H2,1-2H3,(H,17,20,21)/p+1