4-[4-[4-methyl-5-(4-methylsulfonylphenyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]butyl]-5-oxidanylidene-1,4-diazepane-1-carboxylic acid

Systemtic Name: 4-[4-[4-methyl-5-(4-methylsulfonylphenyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]butyl]-5-oxidanylidene-1,4-diazepane-1-carboxylic acid Openeye Name: 4-[4-[4-methyl-5-(4-methylsulfonylphenyl)-2-oxo-oxazolidin-3-yl]butyl]-5-oxo-1,4-diazepane-1-carboxylic acid CAS Name: 4-[4-[4-methyl-5-(4-methylsulfonylphenyl)-2-oxo-3-oxazolidinyl]butyl]-5-oxo-1,4-diazepane-1-carboxylic acid IUPAC Name: 4-[4-[4-methyl-5-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-3-yl]butyl]-5-oxo-1,4-diazepane-1-carboxylic acid Traditional Name: 5-keto-4-[4-[2-keto-5-(4-mesylphenyl)-4-methyl-oxazolidin-3-yl]butyl]-1,4-diazepane-1-carboxylic acid Formula: C21H29N3O7S MolecularWeight: 467.53586

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(=O)N1CCCCN2CCN(CCC2=O)C(=O)O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1C(OC(=O)N1CCCCN2CCN(CCC2=O)C(=O)O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H29N3O7S/c1-15-19(16-5-7-17(8-6-16)32(2,29)30)31-21(28)24(15)11-4-3-10-22-13-14-23(20(26)27)12-9-18(22)25/h5-8,15,19H,3-4,9-14H2,1-2H3,(H,26,27)