[4-[[butan-2-yl(2-phenylethenylsulfonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[butan-2-yl(2-phenylethenylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[sec-butyl(styrylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[butan-2-yl(2-phenylethenylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl(2-phenylethenylsulfonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[sec-butyl(styrylsulfonyl)amino]methyl]phenyl] ester Formula: C21H27NO5S2 MolecularWeight: 437.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)S(=O)(=O)C=CC2=CC=CC=C2

InChI

InChI=1S/C21H27NO5S2/c1-4-18(3)22(28(23,24)16-15-19-9-7-6-8-10-19)17-20-11-13-21(14-12-20)27-29(25,26)5-2/h6-16,18H,4-5,17H2,1-3H3