5-[2-azanyl-5-[ethoxycarbonyl(methoxy)amino]phenyl]sulfonyl-2-methyl-benzenesulfonic acid

Systemtic Name: 5-[2-azanyl-5-[ethoxycarbonyl(methoxy)amino]phenyl]sulfonyl-2-methyl-benzenesulfonic acid Openeye Name: 5-[2-amino-5-[ethoxycarbonyl(methoxy)amino]phenyl]sulfonyl-2-methyl-benzenesulfonic acid CAS Name: 5-[2-amino-5-[ethoxycarbonyl(methoxy)amino]phenyl]sulfonyl-2-methylbenzenesulfonic acid IUPAC Name: 5-[2-amino-5-[ethoxycarbonyl(methoxy)amino]phenyl]sulfonyl-2-methylbenzenesulfonic acid Traditional Name: 5-[2-amino-5-[carbethoxy(methoxy)amino]phenyl]sulfonyl-2-methyl-besylic acid Formula: C17H20N2O8S2 MolecularWeight: 444.4793

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C1=CC(=C(C=C1)N)S(=O)(=O)C2=CC(=C(C=C2)C)S(=O)(=O)O)OC

Isomeric SMILES

CCOC(=O)N(C1=CC(=C(C=C1)N)S(=O)(=O)C2=CC(=C(C=C2)C)S(=O)(=O)O)OC

InChI

InChI=1S/C17H20N2O8S2/c1-4-27-17(20)19(26-3)12-6-8-14(18)16(9-12)28(21,22)13-7-5-11(2)15(10-13)29(23,24)25/h5-10H,4,18H2,1-3H3,(H,23,24,25)