(3S)-2,2-dimethyl-4-[7-(phenylcarbamoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: (3S)-2,2-dimethyl-4-[7-(phenylcarbamoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: (3S)-2,2-dimethyl-4-[7-(phenylcarbamoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: (3S)-4-[[7-[[anilino(oxo)methyl]amino]-2-dibenzofuranyl]sulfonyl]-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: (3S)-2,2-dimethyl-4-[7-(phenylcarbamoylamino)dibenzofuran-2-yl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: (3S)-2,2-dimethyl-4-[7-(phenylcarbamoylamino)dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C26H25N3O6S2 MolecularWeight: 539.6232

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)NC(=O)NC5=CC=CC=C5)C(=O)O)C

Isomeric SMILES

CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)NC(=O)NC5=CC=CC=C5)C(=O)O)C

InChI

InChI=1S/C26H25N3O6S2/c1-26(2)23(24(30)31)29(12-13-36-26)37(33,34)18-9-11-21-20(15-18)19-10-8-17(14-22(19)35-21)28-25(32)27-16-6-4-3-5-7-16/h3-11,14-15,23H,12-13H2,1-2H3,(H,30,31)(H2,27,28,32)/t23-/m0/s1