4-acetamido-N-butylsulfonyl-3-nitro-benzamide

Systemtic Name: 4-acetamido-N-butylsulfonyl-3-nitro-benzamide Openeye Name: 4-acetamido-N-butylsulfonyl-3-nitro-benzamide CAS Name: 4-acetamido-N-butylsulfonyl-3-nitrobenzamide IUPAC Name: 4-acetamido-N-butylsulfonyl-3-nitrobenzamide Traditional Name: 4-acetamido-N-butylsulfonyl-3-nitro-benzamide Formula: C13H17N3O6S MolecularWeight: 343.35558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(=O)C1=CC(=C(C=C1)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCS(=O)(=O)NC(=O)C1=CC(=C(C=C1)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O6S/c1-3-4-7-23(21,22)15-13(18)10-5-6-11(14-9(2)17)12(8-10)16(19)20/h5-6,8H,3-4,7H2,1-2H3,(H,14,17)(H,15,18)