3-ethyl-4-(1-ethylsulfonylpropylamino)-5-(phenethylamino)benzene-1,2-diol

Systemtic Name: 3-ethyl-4-(1-ethylsulfonylpropylamino)-5-(phenethylamino)benzene-1,2-diol Openeye Name: 3-ethyl-4-(1-ethylsulfonylpropylamino)-5-(phenethylamino)benzene-1,2-diol CAS Name: 3-ethyl-4-(1-ethylsulfonylpropylamino)-5-(phenethylamino)benzene-1,2-diol IUPAC Name: 3-ethyl-4-(1-ethylsulfonylpropylamino)-5-(phenethylamino)benzene-1,2-diol Traditional Name: 4-(1-esylpropylamino)-3-ethyl-5-(phenethylamino)pyrocatechol Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1O)O)NCCC2=CC=CC=C2)NC(CC)S(=O)(=O)CC

Isomeric SMILES

CCC1=C(C(=CC(=C1O)O)NCCC2=CC=CC=C2)NC(CC)S(=O)(=O)CC

InChI

InChI=1S/C21H30N2O4S/c1-4-16-20(23-19(5-2)28(26,27)6-3)17(14-18(24)21(16)25)22-13-12-15-10-8-7-9-11-15/h7-11,14,19,22-25H,4-6,12-13H2,1-3H3