5-[(2S)-2-[2-(2-ethoxyphenoxy)ethylamino]-3-methylsulfanyl-propyl]-2-methoxy-benzenesulfonamide

Systemtic Name: 5-[(2S)-2-[2-(2-ethoxyphenoxy)ethylamino]-3-methylsulfanyl-propyl]-2-methoxy-benzenesulfonamide Openeye Name: 5-[(2S)-2-[2-(2-ethoxyphenoxy)ethylamino]-3-methylsulfanyl-propyl]-2-methoxy-benzenesulfonamide CAS Name: 5-[(2S)-2-[2-(2-ethoxyphenoxy)ethylamino]-3-(methylthio)propyl]-2-methoxybenzenesulfonamide IUPAC Name: 5-[(2S)-2-[2-(2-ethoxyphenoxy)ethylamino]-3-methylsulfanylpropyl]-2-methoxybenzenesulfonamide Traditional Name: 5-[(2S)-2-[2-(2-ethoxyphenoxy)ethylamino]-3-(methylthio)propyl]-2-methoxy-benzenesulfonamide Formula: C21H30N2O5S2 MolecularWeight: 454.6033

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCNC(CC2=CC(=C(C=C2)OC)S(=O)(=O)N)CSC

Isomeric SMILES

CCOC1=CC=CC=C1OCCN[C@@H](CC2=CC(=C(C=C2)OC)S(=O)(=O)N)CSC

InChI

InChI=1S/C21H30N2O5S2/c1-4-27-18-7-5-6-8-19(18)28-12-11-23-17(15-29-3)13-16-9-10-20(26-2)21(14-16)30(22,24)25/h5-10,14,17,23H,4,11-13,15H2,1-3H3,(H2,22,24,25)/t17-/m0/s1