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

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(phenylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[benzenesulfonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[benzenesulfonyl-[(2S)-butan-2-yl]amino]methyl]phenyl] ester IUPAC Name: [4-[[benzenesulfonyl-[(2S)-butan-2-yl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[besyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C19H25NO5S2 MolecularWeight: 411.5355

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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)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H25NO5S2/c1-4-16(3)20(27(23,24)19-9-7-6-8-10-19)15-17-11-13-18(14-12-17)25-26(21,22)5-2/h6-14,16H,4-5,15H2,1-3H3/t16-/m0/s1