[5-[[butan-2-yl-[(3-chlorophenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[butan-2-yl-[(3-chlorophenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(3-chlorophenyl)carbamoyl-sec-butyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[butan-2-yl-[(3-chloroanilino)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-[(3-chlorophenyl)carbamoyl]amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(3-chlorophenyl)carbamoyl-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C20H25ClN2O5S MolecularWeight: 440.9409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O5S/c1-5-14(2)23(20(24)22-17-8-6-7-16(21)12-17)13-15-9-10-18(27-3)19(11-15)28-29(4,25)26/h6-12,14H,5,13H2,1-4H3,(H,22,24)