aniline; 3-(sulfonylamino)butane-1-sulfonic acid

Systemtic Name: aniline; 3-(sulfonylamino)butane-1-sulfonic acid Openeye Name: aniline; 3-(sulfonylamino)butane-1-sulfonic acid CAS Name: aniline; 3-(sulfonylamino)-1-butanesulfonic acid IUPAC Name: aniline; 3-(sulfonylamino)butane-1-sulfonic acid Traditional Name: phenylamine; 3-(sulfonylamino)butane-1-sulfonic acid Formula: C10H16N2O5S2 MolecularWeight: 308.37444

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCS(=O)(=O)O)N=S(=O)=O.C1=CC=C(C=C1)N

Isomeric SMILES

CC(CCS(=O)(=O)O)N=S(=O)=O.C1=CC=C(C=C1)N

InChI

InChI=1S/C6H7N.C4H9NO5S2/c7-6-4-2-1-3-5-6;1-4(5-11(6)7)2-3-12(8,9)10/h1-5H,7H2;4H,2-3H2,1H3,(H,8,9,10)