6-[(4-butylphenyl)methyl-[(2,4,5-trimethylphenyl)methylcarbamoyl]amino]hexyl methanesulfonate

Systemtic Name: 6-[(4-butylphenyl)methyl-[(2,4,5-trimethylphenyl)methylcarbamoyl]amino]hexyl methanesulfonate Openeye Name: 6-[(4-butylphenyl)methyl-[(2,4,5-trimethylphenyl)methylcarbamoyl]amino]hexyl methanesulfonate CAS Name: methanesulfonic acid 6-[(4-butylphenyl)methyl-[oxo-[(2,4,5-trimethylphenyl)methylamino]methyl]amino]hexyl ester IUPAC Name: 6-[(4-butylphenyl)methyl-[(2,4,5-trimethylphenyl)methylcarbamoyl]amino]hexyl methanesulfonate Traditional Name: methanesulfonic acid 6-[(4-butylbenzyl)-[(2,4,5-trimethylbenzyl)carbamoyl]amino]hexyl ester Formula: C29H44N2O4S MolecularWeight: 516.73566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CCCCCCOS(=O)(=O)C)C(=O)NCC2=C(C=C(C(=C2)C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CCCCCCOS(=O)(=O)C)C(=O)NCC2=C(C=C(C(=C2)C)C)C

InChI

InChI=1S/C29H44N2O4S/c1-6-7-12-26-13-15-27(16-14-26)22-31(17-10-8-9-11-18-35-36(5,33)34)29(32)30-21-28-20-24(3)23(2)19-25(28)4/h13-16,19-20H,6-12,17-18,21-22H2,1-5H3,(H,30,32)