6-[[2,6-di(propan-2-yl)phenyl]carbamoyl-heptyl-amino]hexyl methanesulfonate

Systemtic Name: 6-[[2,6-di(propan-2-yl)phenyl]carbamoyl-heptyl-amino]hexyl methanesulfonate Openeye Name: 6-[(2,6-diisopropylphenyl)carbamoyl-heptyl-amino]hexyl methanesulfonate CAS Name: methanesulfonic acid 6-[[[2,6-di(propan-2-yl)anilino]-oxomethyl]-heptylamino]hexyl ester IUPAC Name: 6-[[2,6-di(propan-2-yl)phenyl]carbamoyl-heptylamino]hexyl methanesulfonate Traditional Name: methanesulfonic acid 6-[(2,6-diisopropylphenyl)carbamoyl-heptyl-amino]hexyl ester Formula: C27H48N2O4S MolecularWeight: 496.74602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCCOS(=O)(=O)C)C(=O)NC1=C(C=CC=C1C(C)C)C(C)C

Isomeric SMILES

CCCCCCCN(CCCCCCOS(=O)(=O)C)C(=O)NC1=C(C=CC=C1C(C)C)C(C)C

InChI

InChI=1S/C27H48N2O4S/c1-7-8-9-10-13-19-29(20-14-11-12-15-21-33-34(6,31)32)27(30)28-26-24(22(2)3)17-16-18-25(26)23(4)5/h16-18,22-23H,7-15,19-21H2,1-6H3,(H,28,30)