N-(furan-2-ylmethyl)-3-[[2-(4-methylphenyl)sulfanylethanoylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N-(furan-2-ylmethyl)-3-[[2-(4-methylphenyl)sulfanylethanoylamino]carbamoyl]benzenesulfonamide Openeye Name: N-(2-furylmethyl)-3-[[[2-(p-tolylsulfanyl)acetyl]amino]carbamoyl]benzenesulfonamide CAS Name: N-(2-furanylmethyl)-3-[[[2-[(4-methylphenyl)thio]-1-oxoethyl]hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N-(furan-2-ylmethyl)-3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamoyl]benzenesulfonamide Traditional Name: N-(2-furfuryl)-3-[[[2-(p-tolylthio)acetyl]amino]carbamoyl]benzenesulfonamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H21N3O5S2/c1-15-7-9-18(10-8-15)30-14-20(25)23-24-21(26)16-4-2-6-19(12-16)31(27,28)22-13-17-5-3-11-29-17/h2-12,22H,13-14H2,1H3,(H,23,25)(H,24,26)