2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-5-piperidinosulfonyl-phenyl)acetamide Formula: C20H31N4O4S+ MolecularWeight: 423.54954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C20H30N4O4S/c1-16-6-7-18(29(27,28)24-8-4-3-5-9-24)14-19(16)21-20(26)15-22-10-12-23(13-11-22)17(2)25/h6-7,14H,3-5,8-13,15H2,1-2H3,(H,21,26)/p+1