(2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)propanamide

Systemtic Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)propanamide Openeye Name: (2S)-N-(2-furylmethyl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-(2-furanylmethyl)propanamide IUPAC Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)propanamide Traditional Name: (2S)-N-(2-furfuryl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CO1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C21H27N3O4S/c1-16(21(25)22-15-19-6-3-13-28-19)23-9-11-24(12-10-23)29(26,27)20-8-7-17-4-2-5-18(17)14-20/h3,6-8,13-14,16H,2,4-5,9-12,15H2,1H3,(H,22,25)/p+1/t16-/m0/s1