4-(2-benzamido-4-methylsulfanyl-butanoyl)-6-oxidanylidene-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid

Systemtic Name: 4-(2-benzamido-4-methylsulfanyl-butanoyl)-6-oxidanylidene-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Openeye Name: 4-(2-benzamido-4-methylsulfanyl-butanoyl)-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid CAS Name: 4-[2-benzamido-4-(methylthio)-1-oxobutyl]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid IUPAC Name: 4-(2-benzamido-4-methylsulfanylbutanoyl)-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Traditional Name: 4-[2-benzamido-4-(methylthio)butanoyl]-6-keto-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Formula: C17H21N3O6S2 MolecularWeight: 427.49514

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCC2C1C(=O)N2S(=O)(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)N1CCC2C1C(=O)N2S(=O)(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O6S2/c1-27-10-8-12(18-15(21)11-5-3-2-4-6-11)16(22)19-9-7-13-14(19)17(23)20(13)28(24,25)26/h2-6,12-14H,7-10H2,1H3,(H,18,21)(H,24,25,26)