[1-(4-methoxyphenyl)sulfonyl-2-(oxidanylcarbamoyl)-2,3,4,7-tetrahydroazepin-3-yl]carbamic acid

Systemtic Name: [1-(4-methoxyphenyl)sulfonyl-2-(oxidanylcarbamoyl)-2,3,4,7-tetrahydroazepin-3-yl]carbamic acid Openeye Name: [2-(hydroxycarbamoyl)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepin-3-yl]carbamic acid CAS Name: [2-[(hydroxyamino)-oxomethyl]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepin-3-yl]carbamic acid IUPAC Name: [2-(hydroxycarbamoyl)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepin-3-yl]carbamic acid Traditional Name: [2-(hydroxycarbamoyl)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepin-3-yl]carbamic acid Formula: C15H19N3O7S MolecularWeight: 385.39226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)NO)NC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)NO)NC(=O)O

InChI

InChI=1S/C15H19N3O7S/c1-25-10-5-7-11(8-6-10)26(23,24)18-9-3-2-4-12(16-15(20)21)13(18)14(19)17-22/h2-3,5-8,12-13,16,22H,4,9H2,1H3,(H,17,19)(H,20,21)