2,2-dimethyl-4-[7-[[(E)-octadec-9-enoyl]amino]dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-[7-[[(E)-octadec-9-enoyl]amino]dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[7-[[(E)-octadec-9-enoyl]amino]dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[[7-[[(E)-1-oxooctadec-9-enyl]amino]-2-dibenzofuranyl]sulfonyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[7-[[(E)-octadec-9-enoyl]amino]dibenzofuran-2-yl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[7-[[(E)-octadec-9-enoyl]amino]dibenzofuran-2-yl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C37H52N2O6S2 MolecularWeight: 684.94858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=CC2=C(C=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCSC(C4C(=O)O)(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC1=CC2=C(C=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCSC(C4C(=O)O)(C)C

InChI

InChI=1S/C37H52N2O6S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(40)38-28-20-22-30-31-27-29(21-23-32(31)45-33(30)26-28)47(43,44)39-24-25-46-37(2,3)35(39)36(41)42/h11-12,20-23,26-27,35H,4-10,13-19,24-25H2,1-3H3,(H,38,40)(H,41,42)/b12-11+