N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H31N4O6S+ MolecularWeight: 491.58044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H30N4O6S/c1-2-32-19-8-7-18(16-21(19)34(30,31)27-9-3-4-10-27)24-22(28)17-25-11-13-26(14-12-25)23(29)20-6-5-15-33-20/h5-8,15-16H,2-4,9-14,17H2,1H3,(H,24,28)/p+1