[4-[[3-methoxypropyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methoxypropyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[3-methoxypropyl(2-naphthylsulfonyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methoxypropyl(2-naphthalenylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methoxypropyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[3-methoxypropyl(2-naphthylsulfonyl)amino]methyl]phenyl] ester Formula: C22H25NO6S2 MolecularWeight: 463.567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H25NO6S2/c1-28-15-5-14-23(17-18-8-11-21(12-9-18)29-30(2,24)25)31(26,27)22-13-10-19-6-3-4-7-20(19)16-22/h3-4,6-13,16H,5,14-15,17H2,1-2H3