N-[5-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-[2-(2-fluoroanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[5-[[2-(2-fluoroanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[5-[[2-(2-fluoroanilino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-4-piperidinosulfonyl-benzamide Formula: C22H22FN5O4S3 MolecularWeight: 535.634583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)NC4=CC=CC=C4F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C22H22FN5O4S3/c23-17-6-2-3-7-18(17)24-19(29)14-33-22-27-26-21(34-22)25-20(30)15-8-10-16(11-9-15)35(31,32)28-12-4-1-5-13-28/h2-3,6-11H,1,4-5,12-14H2,(H,24,29)(H,25,26,30)