N-[4-[(2S)-3-[(4-bromophenyl)-methylsulfonyl-amino]-2-oxidanyl-propoxy]phenyl]ethanamide

Systemtic Name: N-[4-[(2S)-3-[(4-bromophenyl)-methylsulfonyl-amino]-2-oxidanyl-propoxy]phenyl]ethanamide Openeye Name: N-[4-[(2S)-3-(4-bromo-N-methylsulfonyl-anilino)-2-hydroxy-propoxy]phenyl]acetamide CAS Name: N-[4-[(2S)-3-(4-bromo-N-methylsulfonylanilino)-2-hydroxypropoxy]phenyl]acetamide IUPAC Name: N-[4-[(2S)-3-(4-bromo-N-methylsulfonylanilino)-2-hydroxypropoxy]phenyl]acetamide Traditional Name: N-[4-[(2S)-3-(4-bromo-N-mesyl-anilino)-2-hydroxy-propoxy]phenyl]acetamide Formula: C18H21BrN2O5S MolecularWeight: 457.33874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(CN(C2=CC=C(C=C2)Br)S(=O)(=O)C)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC[C@H](CN(C2=CC=C(C=C2)Br)S(=O)(=O)C)O

InChI

InChI=1S/C18H21BrN2O5S/c1-13(22)20-15-5-9-18(10-6-15)26-12-17(23)11-21(27(2,24)25)16-7-3-14(19)4-8-16/h3-10,17,23H,11-12H2,1-2H3,(H,20,22)/t17-/m0/s1