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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN2O5S/c1-7(2)5-11(15)13-9-4-3-8(20(12,18)19)6-10(9)14(16)17/h3-4,6-7H,5H2,1-2H3,(H,13,15)