4-chloranyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[2-(2-furylmethylsulfanyl)ethyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-chloro-N-[2-(2-furanylmethylthio)ethyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[2-(2-furfurylthio)ethyl]-3-piperidinosulfonyl-benzamide Formula: C19H23ClN2O4S2 MolecularWeight: 442.97992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCSCC3=CC=CO3)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCSCC3=CC=CO3)Cl

InChI

InChI=1S/C19H23ClN2O4S2/c20-17-7-6-15(13-18(17)28(24,25)22-9-2-1-3-10-22)19(23)21-8-12-27-14-16-5-4-11-26-16/h4-7,11,13H,1-3,8-10,12,14H2,(H,21,23)