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

Systemtic Name: [4-[[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl-[(4-isopropylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-[oxo-(4-propan-2-ylanilino)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl(p-cumenylcarbamoyl)amino]methyl]phenyl] ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C22H30N2O4S/c1-5-6-15-24(16-18-7-13-21(14-8-18)28-29(4,26)27)22(25)23-20-11-9-19(10-12-20)17(2)3/h7-14,17H,5-6,15-16H2,1-4H3,(H,23,25)