(2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2S)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C22H29N4O5S+ MolecularWeight: 461.55446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H28N4O5S/c1-17(24-12-14-25(15-13-24)22(28)20-5-4-16-31-20)21(27)23-18-6-8-19(9-7-18)32(29,30)26-10-2-3-11-26/h4-9,16-17H,2-3,10-15H2,1H3,(H,23,27)/p+1/t17-/m0/s1