4-chloranyl-N1-[2-[(3-naphthalen-1-yloxy-2-oxidanyl-propyl)amino]ethyl]benzene-1,3-disulfonamide

Systemtic Name: 4-chloranyl-N1-[2-[(3-naphthalen-1-yloxy-2-oxidanyl-propyl)amino]ethyl]benzene-1,3-disulfonamide Openeye Name: 4-chloro-N1-[2-[[2-hydroxy-3-(1-naphthyloxy)propyl]amino]ethyl]benzene-1,3-disulfonamide CAS Name: 4-chloro-N1-[2-[[2-hydroxy-3-(1-naphthalenyloxy)propyl]amino]ethyl]benzene-1,3-disulfonamide IUPAC Name: 4-chloro-1-N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]benzene-1,3-disulfonamide Traditional Name: 4-chloro-N-[2-[[2-hydroxy-3-(1-naphthoxy)propyl]amino]ethyl]benzene-1,3-disulfonamide Formula: C21H24ClN3O6S2 MolecularWeight: 514.01476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2OCC(CNCCNS(=O)(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2OCC(CNCCNS(=O)(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O

InChI

InChI=1S/C21H24ClN3O6S2/c22-19-9-8-17(12-21(19)32(23,27)28)33(29,30)25-11-10-24-13-16(26)14-31-20-7-3-5-15-4-1-2-6-18(15)20/h1-9,12,16,24-26H,10-11,13-14H2,(H2,23,27,28)