3-chloranylaniline; 4-(sulfonylamino)butane-1-sulfonic acid

Systemtic Name: 3-chloranylaniline; 4-(sulfonylamino)butane-1-sulfonic acid Openeye Name: 3-chloroaniline; 4-(sulfonylamino)butane-1-sulfonic acid CAS Name: 3-chloroaniline; 4-(sulfonylamino)-1-butanesulfonic acid IUPAC Name: 3-chloroaniline; 4-(sulfonylamino)butane-1-sulfonic acid Traditional Name: (3-chlorophenyl)amine; 4-(sulfonylamino)butane-1-sulfonic acid Formula: C10H15ClN2O5S2 MolecularWeight: 342.8195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6ClN.C4H9NO5S2/c7-5-2-1-3-6(8)4-5;6-11(7)5-3-1-2-4-12(8,9)10/h1-4H,8H2;1-4H2,(H,8,9,10)