[4-[[3-methoxypropyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methoxypropyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[3-methoxypropyl(1-naphthylsulfonyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methoxypropyl(1-naphthalenylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methoxypropyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[3-methoxypropyl(1-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=CC=CC3=CC=CC=C32

Isomeric SMILES

COCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)S(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

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