[(2S)-3-ethoxy-1,1,1-tris(fluoranyl)-2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-propan-2-yl]-[2-(4-methoxyphenyl)ethyl]azanium

Systemtic Name: [(2S)-3-ethoxy-1,1,1-tris(fluoranyl)-2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-propan-2-yl]-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: [(1S)-1-ethoxycarbonyl-2,2,2-trifluoro-1-(p-tolylsulfonylamino)ethyl]-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: [(2S)-3-ethoxy-1,1,1-trifluoro-2-[(4-methylphenyl)sulfonylamino]-3-oxopropan-2-yl]-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: [(2S)-3-ethoxy-1,1,1-trifluoro-2-[(4-methylphenyl)sulfonylamino]-3-oxopropan-2-yl]-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: [(1S)-1-carbethoxy-2,2,2-trifluoro-1-(tosylamino)ethyl]-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C21H26F3N2O5S+ MolecularWeight: 475.50175

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)([NH2+]CCC1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)[C@](C(F)(F)F)([NH2+]CCC1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H25F3N2O5S/c1-4-31-19(27)20(21(22,23)24,25-14-13-16-7-9-17(30-3)10-8-16)26-32(28,29)18-11-5-15(2)6-12-18/h5-12,25-26H,4,13-14H2,1-3H3/p+1/t20-/m0/s1