methyl 5-[(1S)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(1S)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxylate Openeye Name: methyl 5-[(1S)-1-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylate CAS Name: 5-[(1S)-1-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]ethyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(1S)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxylate Traditional Name: 5-[(1S)-1-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylic acid methyl ester Formula: C22H25N2O5S+ MolecularWeight: 429.5093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@@H](C1=CC=C(O1)C(=O)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H24N2O5S/c1-16(20-9-10-21(29-20)22(25)28-2)23-11-13-24(14-12-23)30(26,27)19-8-7-17-5-3-4-6-18(17)15-19/h3-10,15-16H,11-14H2,1-2H3/p+1/t16-/m0/s1