methyl-N-[1-[[2-methyl-5-(phenylsulfonylamino)phenyl]amino]-1-oxidanylidene-butan-2-yl]boronamidic acid

Systemtic Name: methyl-N-[1-[[2-methyl-5-(phenylsulfonylamino)phenyl]amino]-1-oxidanylidene-butan-2-yl]boronamidic acid Openeye Name: N-[1-[[5-(benzenesulfonamido)-2-methyl-phenyl]carbamoyl]propyl]-methyl-boronamidic acid CAS Name: N-[1-[5-(benzenesulfonamido)-2-methylanilino]-1-oxobutan-2-yl]-methylboronamidic acid IUPAC Name: N-[1-[5-(benzenesulfonamido)-2-methylanilino]-1-oxobutan-2-yl]-methylboronamidic acid Traditional Name: N-[1-[[5-(benzenesulfonamido)-2-methyl-phenyl]carbamoyl]propyl]-methyl-boronamidic acid Formula: C18H24BN3O4S MolecularWeight: 389.27686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BN3O4S/c1-4-16(21-19(3)24)18(23)20-17-12-14(11-10-13(17)2)22-27(25,26)15-8-6-5-7-9-15/h5-12,16,21-22,24H,4H2,1-3H3,(H,20,23)