N-[(4-fluorophenyl)methyl]-3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanamide Openeye Name: N-[(4-fluorophenyl)methyl]-3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanamide CAS Name: N-[(4-fluorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide IUPAC Name: N-[(4-fluorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide Traditional Name: N-(4-fluorobenzyl)-3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propionamide Formula: C17H18FN3O6S MolecularWeight: 411.404723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C17H18FN3O6S/c1-27-16-7-6-14(10-15(16)21(23)24)28(25,26)20-9-8-17(22)19-11-12-2-4-13(18)5-3-12/h2-7,10,20H,8-9,11H2,1H3,(H,19,22)