3-[[3-(diethylamino)phenyl]amino]-3-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: 3-[[3-(diethylamino)phenyl]amino]-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 3-[3-(diethylamino)anilino]-3-oxo-propane-1-sulfonic acid CAS Name: 3-[3-(diethylamino)anilino]-3-oxo-1-propanesulfonic acid IUPAC Name: 3-[3-(diethylamino)anilino]-3-oxopropane-1-sulfonic acid Traditional Name: 3-[3-(diethylamino)anilino]-3-keto-propane-1-sulfonic acid Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=CC(=C1)NC(=O)CCS(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC=CC(=C1)NC(=O)CCS(=O)(=O)O

InChI

InChI=1S/C13H20N2O4S/c1-3-15(4-2)12-7-5-6-11(10-12)14-13(16)8-9-20(17,18)19/h5-7,10H,3-4,8-9H2,1-2H3,(H,14,16)(H,17,18,19)