4-chloranyl-3-piperidin-1-ylsulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-chloranyl-3-piperidin-1-ylsulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-chloro-3-piperidin-1-ylsulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-4-chloro-3-piperidinosulfonyl-benzamide Formula: C17H19ClN4O3S3 MolecularWeight: 459.00576

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H19ClN4O3S3/c1-2-10-26-17-21-20-16(27-17)19-15(23)12-6-7-13(18)14(11-12)28(24,25)22-8-4-3-5-9-22/h2,6-7,11H,1,3-5,8-10H2,(H,19,20,23)