2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylbutyl)ethanamide

Systemtic Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylbutyl)ethanamide Openeye Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-isopentyl-acetamide CAS Name: 2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylbutyl)acetamide Traditional Name: N-isoamyl-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C19H32N3O4S+ MolecularWeight: 398.54008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O4S/c1-4-26-17-5-7-18(8-6-17)27(24,25)22-13-11-21(12-14-22)15-19(23)20-10-9-16(2)3/h5-8,16H,4,9-15H2,1-3H3,(H,20,23)/p+1