2-azanyl-4-[(2-chloranylethanoylamino)methyl]-5-methyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[(2-chloranylethanoylamino)methyl]-5-methyl-benzenesulfonic acid Openeye Name: 2-amino-4-[[(2-chloroacetyl)amino]methyl]-5-methyl-benzenesulfonic acid CAS Name: 2-amino-4-[[(2-chloro-1-oxoethyl)amino]methyl]-5-methylbenzenesulfonic acid IUPAC Name: 2-amino-4-[[(2-chloroacetyl)amino]methyl]-5-methylbenzenesulfonic acid Traditional Name: 2-amino-4-[[(2-chloroacetyl)amino]methyl]-5-methyl-besylic acid Formula: C10H13ClN2O4S MolecularWeight: 292.73922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CNC(=O)CCl)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1CNC(=O)CCl)N)S(=O)(=O)O

InChI

InChI=1S/C10H13ClN2O4S/c1-6-2-9(18(15,16)17)8(12)3-7(6)5-13-10(14)4-11/h2-3H,4-5,12H2,1H3,(H,13,14)(H,15,16,17)