N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C25H28N3O5S+ MolecularWeight: 482.57192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC[C@H]2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H27N3O5S/c29-25(26-16-21-18-32-23-7-3-4-8-24(23)33-21)17-27-11-13-28(14-12-27)34(30,31)22-10-9-19-5-1-2-6-20(19)15-22/h1-10,15,21H,11-14,16-18H2,(H,26,29)/p+1/t21-/m0/s1