6-[methyl-[(E)-2-(3-nitrophenyl)-3-oxidanylidene-but-1-enyl]sulfonyl-amino]hexanoic acid

Systemtic Name: 6-[methyl-[(E)-2-(3-nitrophenyl)-3-oxidanylidene-but-1-enyl]sulfonyl-amino]hexanoic acid Openeye Name: 6-[methyl-[(E)-2-(3-nitrophenyl)-3-oxo-but-1-enyl]sulfonyl-amino]hexanoic acid CAS Name: 6-[methyl-[(E)-2-(3-nitrophenyl)-3-oxobut-1-enyl]sulfonylamino]hexanoic acid IUPAC Name: 6-[methyl-[(E)-2-(3-nitrophenyl)-3-oxobut-1-enyl]sulfonylamino]hexanoic acid Traditional Name: 6-[[(E)-3-keto-2-(3-nitrophenyl)but-1-enyl]sulfonyl-methyl-amino]hexanoic acid Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CS(=O)(=O)N(C)CCCCCC(=O)O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C(=C/S(=O)(=O)N(C)CCCCCC(=O)O)/C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O7S/c1-13(20)16(14-7-6-8-15(11-14)19(23)24)12-27(25,26)18(2)10-5-3-4-9-17(21)22/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,21,22)/b16-12-