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

Systemtic Name: 2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-ethoxy-5-piperidinosulfonyl-phenyl)acetamide Formula: C21H33N4O5S+ MolecularWeight: 453.57552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H32N4O5S/c1-3-30-20-8-7-18(31(28,29)25-9-5-4-6-10-25)15-19(20)22-21(27)16-23-11-13-24(14-12-23)17(2)26/h7-8,15H,3-6,9-14,16H2,1-2H3,(H,22,27)/p+1