(2S)-3-[[4-(4-methylphenoxy)phenyl]-methylsulfonyl-amino]-N-oxidanyl-2-(pyridin-4-ylmethylamino)propanamide

Systemtic Name: (2S)-3-[[4-(4-methylphenoxy)phenyl]-methylsulfonyl-amino]-N-oxidanyl-2-(pyridin-4-ylmethylamino)propanamide Openeye Name: (2S)-3-[4-(4-methylphenoxy)-N-methylsulfonyl-anilino]-2-(4-pyridylmethylamino)propanehydroxamic acid CAS Name: (2S)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-(pyridin-4-ylmethylamino)propanamide IUPAC Name: (2S)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-(pyridin-4-ylmethylamino)propanamide Traditional Name: (2S)-3-[N-mesyl-4-(4-methylphenoxy)anilino]-2-(4-pyridylmethylamino)propanehydroxamic acid Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)N(CC(C(=O)NO)NCC3=CC=NC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)N(C[C@@H](C(=O)NO)NCC3=CC=NC=C3)S(=O)(=O)C

InChI

InChI=1S/C23H26N4O5S/c1-17-3-7-20(8-4-17)32-21-9-5-19(6-10-21)27(33(2,30)31)16-22(23(28)26-29)25-15-18-11-13-24-14-12-18/h3-14,22,25,29H,15-16H2,1-2H3,(H,26,28)/t22-/m0/s1