methyl-N-[2-[[2-methyl-5-(phenylsulfonylamino)phenyl]amino]-2-oxidanylidene-ethyl]boronamidic acid

Systemtic Name: methyl-N-[2-[[2-methyl-5-(phenylsulfonylamino)phenyl]amino]-2-oxidanylidene-ethyl]boronamidic acid Openeye Name: N-[2-[5-(benzenesulfonamido)-2-methyl-anilino]-2-oxo-ethyl]-methyl-boronamidic acid CAS Name: N-[2-[5-(benzenesulfonamido)-2-methylanilino]-2-oxoethyl]-methylboronamidic acid IUPAC Name: N-[2-[5-(benzenesulfonamido)-2-methylanilino]-2-oxoethyl]-methylboronamidic acid Traditional Name: N-[2-[5-(benzenesulfonamido)-2-methyl-anilino]-2-keto-ethyl]-methyl-boronamidic acid Formula: C16H20BN3O4S MolecularWeight: 361.2237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C)(NCC(=O)NC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC=C2)C)O

Isomeric SMILES

B(C)(NCC(=O)NC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC=C2)C)O

InChI

InChI=1S/C16H20BN3O4S/c1-12-8-9-13(10-15(12)19-16(21)11-18-17(2)22)20-25(23,24)14-6-4-3-5-7-14/h3-10,18,20,22H,11H2,1-2H3,(H,19,21)