sodium 5-(3-chloranylpropanoylamino)-2-methyl-benzenesulfonate

Systemtic Name: sodium 5-(3-chloranylpropanoylamino)-2-methyl-benzenesulfonate Openeye Name: sodium 5-(3-chloropropanoylamino)-2-methyl-benzenesulfonate CAS Name: sodium 5-[(3-chloro-1-oxopropyl)amino]-2-methylbenzenesulfonate IUPAC Name: sodium 5-(3-chloropropanoylamino)-2-methylbenzenesulfonate Traditional Name: sodium 5-(3-chloropropanoylamino)-2-methyl-besylate Formula: C10H11ClNNaO4S MolecularWeight: 299.70641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCl)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCl)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H12ClNO4S.Na/c1-7-2-3-8(12-10(13)4-5-11)6-9(7)17(14,15)16;/h2-3,6H,4-5H2,1H3,(H,12,13)(H,14,15,16);/q;+1/p-1