6-[(4-butylphenyl)methyl-[[2,4,6-tris(chloranyl)phenyl]carbamoyl]amino]hexyl methanesulfonate

Systemtic Name: 6-[(4-butylphenyl)methyl-[[2,4,6-tris(chloranyl)phenyl]carbamoyl]amino]hexyl methanesulfonate Openeye Name: 6-[(4-butylphenyl)methyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]hexyl methanesulfonate CAS Name: methanesulfonic acid 6-[(4-butylphenyl)methyl-[oxo-(2,4,6-trichloroanilino)methyl]amino]hexyl ester IUPAC Name: 6-[(4-butylphenyl)methyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]hexyl methanesulfonate Traditional Name: methanesulfonic acid 6-[(4-butylbenzyl)-[(2,4,6-trichlorophenyl)carbamoyl]amino]hexyl ester Formula: C25H33Cl3N2O4S MolecularWeight: 563.96452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CCCCCCOS(=O)(=O)C)C(=O)NC2=C(C=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CCCCCCOS(=O)(=O)C)C(=O)NC2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C25H33Cl3N2O4S/c1-3-4-9-19-10-12-20(13-11-19)18-30(14-7-5-6-8-15-34-35(2,32)33)25(31)29-24-22(27)16-21(26)17-23(24)28/h10-13,16-17H,3-9,14-15,18H2,1-2H3,(H,29,31)