N-[1-[(4-ethanimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-2-[(2-fluorophenyl)methylsulfonylamino]-3-oxidanyl-propanamide

Systemtic Name: N-[1-[(4-ethanimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-2-[(2-fluorophenyl)methylsulfonylamino]-3-oxidanyl-propanamide Openeye Name: N-[2-[(4-ethanimidoylphenyl)methylamino]-1-methyl-2-oxo-ethyl]-2-[(2-fluorophenyl)methylsulfonylamino]-3-hydroxy-propanamide CAS Name: 2-[(2-fluorophenyl)methylsulfonylamino]-3-hydroxy-N-[1-[[4-(1-iminoethyl)phenyl]methylamino]-1-oxopropan-2-yl]propanamide IUPAC Name: N-[1-[(4-ethanimidoylphenyl)methylamino]-1-oxopropan-2-yl]-2-[(2-fluorophenyl)methylsulfonylamino]-3-hydroxypropanamide Traditional Name: N-[2-[(4-acetimidoylbenzyl)amino]-2-keto-1-methyl-ethyl]-2-[(2-fluorobenzyl)sulfonylamino]-3-hydroxy-propionamide Formula: C22H27FN4O5S MolecularWeight: 478.536983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=N)C)NC(=O)C(CO)NS(=O)(=O)CC2=CC=CC=C2F

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=N)C)NC(=O)C(CO)NS(=O)(=O)CC2=CC=CC=C2F

InChI

InChI=1S/C22H27FN4O5S/c1-14(24)17-9-7-16(8-10-17)11-25-21(29)15(2)26-22(30)20(12-28)27-33(31,32)13-18-5-3-4-6-19(18)23/h3-10,15,20,24,27-28H,11-13H2,1-2H3,(H,25,29)(H,26,30)