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

Systemtic Name: 2-azanyl-4-[(2-chloranylethanoylamino)methyl]-5-methoxy-benzenesulfonic acid Openeye Name: 2-amino-4-[[(2-chloroacetyl)amino]methyl]-5-methoxy-benzenesulfonic acid CAS Name: 2-amino-4-[[(2-chloro-1-oxoethyl)amino]methyl]-5-methoxybenzenesulfonic acid IUPAC Name: 2-amino-4-[[(2-chloroacetyl)amino]methyl]-5-methoxybenzenesulfonic acid Traditional Name: 2-amino-4-[[(2-chloroacetyl)amino]methyl]-5-methoxy-besylic acid Formula: C10H13ClN2O5S MolecularWeight: 308.73862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)CCl)N)S(=O)(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)CCl)N)S(=O)(=O)O

InChI

InChI=1S/C10H13ClN2O5S/c1-18-8-3-9(19(15,16)17)7(12)2-6(8)5-13-10(14)4-11/h2-3H,4-5,12H2,1H3,(H,13,14)(H,15,16,17)