2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)ethanamide Openeye Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(isobutylcarbamoyl)acetamide CAS Name: 2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2-methylpropylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide Traditional Name: N-(isobutylcarbamoyl)-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C19H31N4O5S+ MolecularWeight: 427.53824

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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)NCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O5S/c1-4-28-16-5-7-17(8-6-16)29(26,27)23-11-9-22(10-12-23)14-18(24)21-19(25)20-13-15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H2,20,21,24,25)/p+1