4-[1-chloranyl-2-[[3-(diethylamino)phenyl]amino]-2-oxidanylidene-ethoxy]benzenesulfonic acid

Systemtic Name: 4-[1-chloranyl-2-[[3-(diethylamino)phenyl]amino]-2-oxidanylidene-ethoxy]benzenesulfonic acid Openeye Name: 4-[1-chloro-2-[3-(diethylamino)anilino]-2-oxo-ethoxy]benzenesulfonic acid CAS Name: 4-[1-chloro-2-[3-(diethylamino)anilino]-2-oxoethoxy]benzenesulfonic acid IUPAC Name: 4-[1-chloro-2-[3-(diethylamino)anilino]-2-oxoethoxy]benzenesulfonic acid Traditional Name: 4-[1-chloro-2-[3-(diethylamino)anilino]-2-keto-ethoxy]besylic acid Formula: C18H21ClN2O5S MolecularWeight: 412.88774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=CC(=C1)NC(=O)C(OC2=CC=C(C=C2)S(=O)(=O)O)Cl

Isomeric SMILES

CCN(CC)C1=CC=CC(=C1)NC(=O)C(OC2=CC=C(C=C2)S(=O)(=O)O)Cl

InChI

InChI=1S/C18H21ClN2O5S/c1-3-21(4-2)14-7-5-6-13(12-14)20-18(22)17(19)26-15-8-10-16(11-9-15)27(23,24)25/h5-12,17H,3-4H2,1-2H3,(H,20,22)(H,23,24,25)