2-[(3-chloranyl-2-methyl-propanoyl)amino]-5-(2-chloroethylsulfonyloxy)pyridine-4-sulfonic acid

Systemtic Name: 2-[(3-chloranyl-2-methyl-propanoyl)amino]-5-(2-chloroethylsulfonyloxy)pyridine-4-sulfonic acid Openeye Name: 5-(2-chloroethylsulfonyloxy)-2-[(3-chloro-2-methyl-propanoyl)amino]pyridine-4-sulfonic acid CAS Name: 5-(2-chloroethylsulfonyloxy)-2-[(3-chloro-2-methyl-1-oxopropyl)amino]-4-pyridinesulfonic acid IUPAC Name: 5-(2-chloroethylsulfonyloxy)-2-[(3-chloro-2-methylpropanoyl)amino]pyridine-4-sulfonic acid Traditional Name: 5-(2-chloroethylsulfonyloxy)-2-[(3-chloro-2-methyl-propanoyl)amino]pyridine-4-sulfonic acid Formula: C11H14Cl2N2O7S2 MolecularWeight: 421.27406

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCl)C(=O)NC1=NC=C(C(=C1)S(=O)(=O)O)OS(=O)(=O)CCCl

Isomeric SMILES

CC(CCl)C(=O)NC1=NC=C(C(=C1)S(=O)(=O)O)OS(=O)(=O)CCCl

InChI

InChI=1S/C11H14Cl2N2O7S2/c1-7(5-13)11(16)15-10-4-9(24(19,20)21)8(6-14-10)22-23(17,18)3-2-12/h4,6-7H,2-3,5H2,1H3,(H,14,15,16)(H,19,20,21)