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

Systemtic Name: ethyl N-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: ethyl N-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate CAS Name: N-[2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate Traditional Name: N-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamic acid ethyl ester Formula: C19H30N3O5S+ MolecularWeight: 412.5236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C19H29N3O5S/c1-5-27-18(24)20-17(23)14-21-10-12-22(13-11-21)28(25,26)16-8-6-15(7-9-16)19(2,3)4/h6-9H,5,10-14H2,1-4H3,(H,20,23,24)/p+1