[(2S)-1-[(4-aminocarbonylphenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(4-aminocarbonylphenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-carbamoylphenyl)carbamoyl]-3-methylsulfonyl-propyl]ammonium CAS Name: [(2S)-1-(4-carbamoylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-carbamoylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(4-carbamoylphenyl)carbamoyl]-3-mesyl-propyl]ammonium Formula: C12H18N3O4S+ MolecularWeight: 300.35402

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC1=CC=C(C=C1)C(=O)N)[NH3+]

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH3+]

InChI

InChI=1S/C12H17N3O4S/c1-20(18,19)7-6-10(13)12(17)15-9-4-2-8(3-5-9)11(14)16/h2-5,10H,6-7,13H2,1H3,(H2,14,16)(H,15,17)/p+1/t10-/m0/s1