[3-[[butan-2-yl-[(3-chloranyl-4-methyl-phenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[butan-2-yl-[(3-chloranyl-4-methyl-phenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(3-chloro-4-methyl-phenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[butan-2-yl-[(3-chloro-4-methylanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-[(3-chloro-4-methylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(3-chloro-4-methyl-phenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ester Formula: C20H25ClN2O4S MolecularWeight: 424.9415

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)NC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)NC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C20H25ClN2O4S/c1-5-15(3)23(20(24)22-17-10-9-14(2)19(21)12-17)13-16-7-6-8-18(11-16)27-28(4,25)26/h6-12,15H,5,13H2,1-4H3,(H,22,24)