[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2R)-1-[2-(4-methoxyphenyl)ethylamino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1R)-1-[2-(4-methoxyphenyl)ethylcarbamoyl]-3-methylsulfonyl-propyl]ammonium CAS Name: [(2R)-1-[2-(4-methoxyphenyl)ethylamino]-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2R)-1-[2-(4-methoxyphenyl)ethylamino]-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1R)-3-mesyl-1-[2-(4-methoxyphenyl)ethylcarbamoyl]propyl]ammonium Formula: C14H23N2O4S+ MolecularWeight: 315.40842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C(CCS(=O)(=O)C)[NH3+]

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)[C@@H](CCS(=O)(=O)C)[NH3+]

InChI

InChI=1S/C14H22N2O4S/c1-20-12-5-3-11(4-6-12)7-9-16-14(17)13(15)8-10-21(2,18)19/h3-6,13H,7-10,15H2,1-2H3,(H,16,17)/p+1/t13-/m1/s1