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

Systemtic Name: 6-[(4-butylphenyl)methyl-[(4-chloranyl-2-methyl-phenyl)carbamoyl]amino]hexyl methanesulfonate Openeye Name: 6-[(4-butylphenyl)methyl-[(4-chloro-2-methyl-phenyl)carbamoyl]amino]hexyl methanesulfonate CAS Name: methanesulfonic acid 6-[(4-butylphenyl)methyl-[(4-chloro-2-methylanilino)-oxomethyl]amino]hexyl ester IUPAC Name: 6-[(4-butylphenyl)methyl-[(4-chloro-2-methylphenyl)carbamoyl]amino]hexyl methanesulfonate Traditional Name: methanesulfonic acid 6-[(4-butylbenzyl)-[(4-chloro-2-methyl-phenyl)carbamoyl]amino]hexyl ester Formula: C26H37ClN2O4S MolecularWeight: 509.10098

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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=C2)Cl)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CCCCCCOS(=O)(=O)C)C(=O)NC2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C26H37ClN2O4S/c1-4-5-10-22-11-13-23(14-12-22)20-29(17-8-6-7-9-18-33-34(3,31)32)26(30)28-25-16-15-24(27)19-21(25)2/h11-16,19H,4-10,17-18,20H2,1-3H3,(H,28,30)