2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-ethoxy-3-piperidinosulfonyl-phenyl)acetamide Formula: C23H35N4O5S+ MolecularWeight: 479.6128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H34N4O5S/c1-2-32-20-9-8-19(16-21(20)33(30,31)27-10-4-3-5-11-27)24-22(28)17-25-12-14-26(15-13-25)23(29)18-6-7-18/h8-9,16,18H,2-7,10-15,17H2,1H3,(H,24,28)/p+1