[2-[2-[(7-acetamido-9H-fluoren-2-yl)oxy]ethylamino]-1-oxidanyl-ethyl]-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-dimethyl-azanium

Systemtic Name: [2-[2-[(7-acetamido-9H-fluoren-2-yl)oxy]ethylamino]-1-oxidanyl-ethyl]-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-dimethyl-azanium Openeye Name: [2-[2-[(7-acetamido-9H-fluoren-2-yl)oxy]ethylamino]-1-hydroxy-ethyl]-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-dimethyl-ammonium CAS Name: [2-[2-[(7-acetamido-9H-fluoren-2-yl)oxy]ethylamino]-1-hydroxyethyl]-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-dimethylammonium IUPAC Name: [2-[2-[(7-acetamido-9H-fluoren-2-yl)oxy]ethylamino]-1-hydroxyethyl]-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-dimethylazanium Traditional Name: [2-[2-[(7-acetamido-9H-fluoren-2-yl)oxy]ethylamino]-1-hydroxy-ethyl]-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-dimethyl-ammonium Formula: C29H35N4O6S+ MolecularWeight: 567.6764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)OCCNCC([N+](C)(C)S(=O)(=O)N4CCOC5=CC=CC=C54)O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)OCCNCC([N+](C)(C)S(=O)(=O)N4CCOC5=CC=CC=C54)O

InChI

InChI=1S/C29H34N4O6S/c1-20(34)31-23-8-10-25-21(17-23)16-22-18-24(9-11-26(22)25)38-14-12-30-19-29(35)33(2,3)40(36,37)32-13-15-39-28-7-5-4-6-27(28)32/h4-11,17-18,29-30,35H,12-16,19H2,1-3H3/p+1