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

Systemtic Name: methyl N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: methyl N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate CAS Name: N-[2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate Traditional Name: N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamic acid methyl ester Formula: C16H24N3O5S+ MolecularWeight: 370.44386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)OC)C

InChI

InChI=1S/C16H23N3O5S/c1-12-4-5-14(13(2)10-12)25(22,23)19-8-6-18(7-9-19)11-15(20)17-16(21)24-3/h4-5,10H,6-9,11H2,1-3H3,(H,17,20,21)/p+1