[5-[[butan-2-yl-(3,5-dimethoxyphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[butan-2-yl-(3,5-dimethoxyphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(3,5-dimethoxybenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[butan-2-yl-[(3,5-dimethoxyphenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(3,5-dimethoxybenzoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(3,5-dimethoxybenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C22H29NO7S MolecularWeight: 451.53316

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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)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO7S/c1-7-15(2)23(22(24)17-11-18(27-3)13-19(12-17)28-4)14-16-8-9-20(29-5)21(10-16)30-31(6,25)26/h8-13,15H,7,14H2,1-6H3