[(2R)-1-[(4-acetamidophenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2R)-1-[(4-acetamidophenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1R)-1-[(4-acetamidophenyl)carbamoyl]-3-methylsulfonyl-propyl]ammonium CAS Name: [(2R)-1-(4-acetamidoanilino)-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2R)-1-(4-acetamidoanilino)-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1R)-1-[(4-acetamidophenyl)carbamoyl]-3-mesyl-propyl]ammonium Formula: C13H20N3O4S+ MolecularWeight: 314.3806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C(CCS(=O)(=O)C)[NH3+]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)[C@@H](CCS(=O)(=O)C)[NH3+]

InChI

InChI=1S/C13H19N3O4S/c1-9(17)15-10-3-5-11(6-4-10)16-13(18)12(14)7-8-21(2,19)20/h3-6,12H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)/p+1/t12-/m1/s1