4-[1-(phenethylamino)propoxy]benzenesulfinic acid

Systemtic Name: 4-[1-(phenethylamino)propoxy]benzenesulfinic acid Openeye Name: 4-[1-(phenethylamino)propoxy]benzenesulfinic acid CAS Name: 4-[1-(phenethylamino)propoxy]benzenesulfinic acid IUPAC Name: 4-[1-(phenethylamino)propoxy]benzenesulfinic acid Traditional Name: 4-[1-(phenethylamino)propoxy]benzenesulfinic acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NCCC1=CC=CC=C1)OC2=CC=C(C=C2)S(=O)O

Isomeric SMILES

CCC(NCCC1=CC=CC=C1)OC2=CC=C(C=C2)S(=O)O

InChI

InChI=1S/C17H21NO3S/c1-2-17(18-13-12-14-6-4-3-5-7-14)21-15-8-10-16(11-9-15)22(19)20/h3-11,17-18H,2,12-13H2,1H3,(H,19,20)