2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]-methyl-ammonium Formula: C26H30N3O5S+ MolecularWeight: 496.5985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H29N3O5S/c1-27(18-20-6-9-24-25(16-20)34-15-14-33-24)19-26(30)28-10-12-29(13-11-28)35(31,32)23-8-7-21-4-2-3-5-22(21)17-23/h2-9,16-17H,10-15,18-19H2,1H3/p+1