[4-[[butyl-[(2-ethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butyl-[(2-ethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl-[(2-ethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-[(2-ethylanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-[(2-ethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl-[(2-ethylphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=CC=CC=C2CC

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=CC=CC=C2CC

InChI

InChI=1S/C21H28N2O4S/c1-4-6-15-23(21(24)22-20-10-8-7-9-18(20)5-2)16-17-11-13-19(14-12-17)27-28(3,25)26/h7-14H,4-6,15-16H2,1-3H3,(H,22,24)