sodium [2-methoxy-5-[(1S)-3-(methylamino)-1-thiophen-2-yl-propoxy]naphthalen-1-yl] sulfate

Systemtic Name: sodium [2-methoxy-5-[(1S)-3-(methylamino)-1-thiophen-2-yl-propoxy]naphthalen-1-yl] sulfate Openeye Name: sodium [2-methoxy-5-[(1S)-3-(methylamino)-1-(2-thienyl)propoxy]-1-naphthyl] sulfate CAS Name: sodium [2-methoxy-5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]-1-naphthalenyl] sulfate IUPAC Name: sodium [2-methoxy-5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-1-yl] sulfate Traditional Name: sodium [2-methoxy-5-[(1S)-3-(methylamino)-1-(2-thienyl)propoxy]-1-naphthyl] sulfate Formula: C19H20NNaO6S2 MolecularWeight: 445.48497

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CC=CS1)OC2=CC=CC3=C2C=CC(=C3OS(=O)(=O)[O-])OC.[Na+]

Isomeric SMILES

CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=C2C=CC(=C3OS(=O)(=O)[O-])OC.[Na+]

InChI

InChI=1S/C19H21NO6S2.Na/c1-20-11-10-16(18-7-4-12-27-18)25-15-6-3-5-14-13(15)8-9-17(24-2)19(14)26-28(21,22)23;/h3-9,12,16,20H,10-11H2,1-2H3,(H,21,22,23);/q;+1/p-1/t16-;/m0./s1