[(2S)-1-[(3-chloranyl-2-methyl-phenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(3-chloranyl-2-methyl-phenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(3-chloro-2-methyl-phenyl)carbamoyl]-3-methylsulfonyl-propyl]ammonium CAS Name: [(2S)-1-(3-chloro-2-methylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(3-chloro-2-methylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(3-chloro-2-methyl-phenyl)carbamoyl]-3-mesyl-propyl]ammonium Formula: C12H18ClN2O3S+ MolecularWeight: 305.80092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(CCS(=O)(=O)C)[NH3+]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)[C@H](CCS(=O)(=O)C)[NH3+]

InChI

InChI=1S/C12H17ClN2O3S/c1-8-9(13)4-3-5-11(8)15-12(16)10(14)6-7-19(2,17)18/h3-5,10H,6-7,14H2,1-2H3,(H,15,16)/p+1/t10-/m0/s1