4-(2-methylbutanoylamino)-3-nitro-benzenesulfonyl chloride

Systemtic Name: 4-(2-methylbutanoylamino)-3-nitro-benzenesulfonyl chloride Openeye Name: 4-(2-methylbutanoylamino)-3-nitro-benzenesulfonyl chloride CAS Name: 4-[(2-methyl-1-oxobutyl)amino]-3-nitrobenzenesulfonyl chloride IUPAC Name: 4-(2-methylbutanoylamino)-3-nitrobenzenesulfonyl chloride Traditional Name: 4-(2-methylbutanoylamino)-3-nitro-benzenesulfonyl chloride Formula: C11H13ClN2O5S MolecularWeight: 320.74932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C(=O)NC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H13ClN2O5S/c1-3-7(2)11(15)13-9-5-4-8(20(12,18)19)6-10(9)14(16)17/h4-7H,3H2,1-2H3,(H,13,15)