N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]benzamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]benzamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-4-[(3-methyl-N-methylsulfonyl-anilino)methyl]benzamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-4-[(N-mesyl-3-methyl-anilino)methyl]benzamide Formula: C23H26N2O4S2 MolecularWeight: 458.59354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NCCSCC3=CC=CO3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NCCSCC3=CC=CO3)S(=O)(=O)C

InChI

InChI=1S/C23H26N2O4S2/c1-18-5-3-6-21(15-18)25(31(2,27)28)16-19-8-10-20(11-9-19)23(26)24-12-14-30-17-22-7-4-13-29-22/h3-11,13,15H,12,14,16-17H2,1-2H3,(H,24,26)