4-isocyano-N-[4-[2-oxidanyl-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide

Systemtic Name: 4-isocyano-N-[4-[2-oxidanyl-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide Openeye Name: N-[4-[1-hydroxy-2-(isopropylsulfonylamino)-1-methyl-ethyl]phenyl]-4-isocyano-benzamide CAS Name: N-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-isocyanobenzamide IUPAC Name: N-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]-4-isocyanobenzamide Traditional Name: N-[4-[1-hydroxy-2-(isopropylsulfonylamino)-1-methyl-ethyl]phenyl]-4-isocyano-benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NCC(C)(C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+]#[C-])O

Isomeric SMILES

CC(C)S(=O)(=O)NCC(C)(C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+]#[C-])O

InChI

InChI=1S/C20H23N3O4S/c1-14(2)28(26,27)22-13-20(3,25)16-7-11-18(12-8-16)23-19(24)15-5-9-17(21-4)10-6-15/h5-12,14,22,25H,13H2,1-3H3,(H,23,24)