(6R,7S)-2-methylsulfonyl-3,8-bis(oxidanylidene)-7-(2-phenylethanoylamino)-1,4-diazabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: (6R,7S)-2-methylsulfonyl-3,8-bis(oxidanylidene)-7-(2-phenylethanoylamino)-1,4-diazabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: (6R,7S)-2-methylsulfonyl-3,8-dioxo-7-[(2-phenylacetyl)amino]-1,4-diazabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: (6R,7S)-2-methylsulfonyl-3,8-dioxo-7-[(1-oxo-2-phenylethyl)amino]-1,4-diazabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: (6R,7S)-2-methylsulfonyl-3,8-dioxo-7-[(2-phenylacetyl)amino]-1,4-diazabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: (6R,7S)-3,8-diketo-2-mesyl-7-[(2-phenylacetyl)amino]-1,4-diazabicyclo[4.2.0]octane-2-carboxylic acid Formula: C16H17N3O7S MolecularWeight: 395.38708

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1(C(=O)NCC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1(C(=O)NC[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H17N3O7S/c1-27(25,26)16(15(23)24)14(22)17-8-10-12(13(21)19(10)16)18-11(20)7-9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3,(H,17,22)(H,18,20)(H,23,24)/t10-,12+,16?/m1/s1