[4-[bis(carboxymethyl)amino]-2-methylsulfonyl-phenyl]iminoazanium

Systemtic Name: [4-[bis(carboxymethyl)amino]-2-methylsulfonyl-phenyl]iminoazanium Openeye Name: [4-[bis(carboxymethyl)amino]-2-methylsulfonyl-phenyl]iminoammonium CAS Name: [4-[bis(carboxymethyl)amino]-2-methylsulfonylphenyl]iminoammonium IUPAC Name: [4-[bis(carboxymethyl)amino]-2-methylsulfonylphenyl]iminoazanium Traditional Name: [4-[bis(carboxymethyl)amino]-2-mesyl-phenyl]iminoammonium Formula: C11H14N3O6S+ MolecularWeight: 316.31036

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)N(CC(=O)O)CC(=O)O)N=[NH2+]

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)N(CC(=O)O)CC(=O)O)N=[NH2+]

InChI

InChI=1S/C11H13N3O6S/c1-21(19,20)9-4-7(2-3-8(9)13-12)14(5-10(15)16)6-11(17)18/h2-4,12H,5-6H2,1H3,(H,15,16)(H,17,18)/p+1