[4-[[(4-chlorophenyl)sulfonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-chlorophenyl)sulfonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-chlorophenyl)sulfonyl-isopentyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-chlorophenyl)sulfonyl-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-chlorophenyl)sulfonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-chlorophenyl)sulfonyl-isoamyl-amino]methyl]phenyl] ester Formula: C19H24ClNO5S2 MolecularWeight: 445.98056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H24ClNO5S2/c1-15(2)12-13-21(28(24,25)19-10-6-17(20)7-11-19)14-16-4-8-18(9-5-16)26-27(3,22)23/h4-11,15H,12-14H2,1-3H3