[5-[[butan-2-yl-(4-methoxyphenyl)sulfonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[butan-2-yl-(4-methoxyphenyl)sulfonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [2-methoxy-5-[[(4-methoxyphenyl)sulfonyl-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-(4-methoxyphenyl)sulfonylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(4-methoxyphenyl)sulfonylamino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-methoxy-5-[[(4-methoxyphenyl)sulfonyl-sec-butyl-amino]methyl]phenyl] ester Formula: C21H29NO7S2 MolecularWeight: 471.58746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO7S2/c1-6-16(3)22(31(25,26)19-11-9-18(27-4)10-12-19)15-17-8-13-20(28-5)21(14-17)29-30(23,24)7-2/h8-14,16H,6-7,15H2,1-5H3