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

Systemtic Name: [4-[[butyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl(2-naphthylsulfonyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl(2-naphthalenylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl(2-naphthylsulfonyl)amino]methyl]phenyl] ester Formula: C22H25NO5S2 MolecularWeight: 447.5676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S2/c1-3-4-15-23(17-18-9-12-21(13-10-18)28-29(2,24)25)30(26,27)22-14-11-19-7-5-6-8-20(19)16-22/h5-14,16H,3-4,15,17H2,1-2H3