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

Systemtic Name: [3-[[butan-2-yl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-methoxyphenyl)sulfonyl-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[butan-2-yl-(4-methoxyphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(4-methoxyphenyl)sulfonylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-methoxyphenyl)sulfonyl-sec-butyl-amino]methyl]phenyl] ester Formula: C20H27NO6S2 MolecularWeight: 441.56148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO6S2/c1-5-16(3)21(29(24,25)20-12-10-18(26-4)11-13-20)15-17-8-7-9-19(14-17)27-28(22,23)6-2/h7-14,16H,5-6,15H2,1-4H3