2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide Formula: C21H31N4O6S+ MolecularWeight: 467.55904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H30N4O6S/c1-30-18-5-4-17(14-19(18)32(28,29)25-10-12-31-13-11-25)22-20(26)15-23-6-8-24(9-7-23)21(27)16-2-3-16/h4-5,14,16H,2-3,6-13,15H2,1H3,(H,22,26)/p+1