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

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)acetamide Formula: C22H33N4O5S+ MolecularWeight: 465.58622

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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)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H32N4O5S/c1-2-31-19-8-7-18(15-20(19)32(29,30)26-9-3-4-10-26)23-21(27)16-24-11-13-25(14-12-24)22(28)17-5-6-17/h7-8,15,17H,2-6,9-14,16H2,1H3,(H,23,27)/p+1