2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-piperidinosulfonyl-phenyl)acetamide Formula: C22H33N4O5S+ MolecularWeight: 465.58622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C22H32N4O5S/c1-31-20-8-7-18(32(29,30)26-9-3-2-4-10-26)15-19(20)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