2-chloranyl-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[2-(2-furylmethylamino)-2-oxo-ethyl]-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-chloro-N-[2-(2-furanylmethylamino)-2-oxoethyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[2-(2-furfurylamino)-2-keto-ethyl]-5-piperidinosulfonyl-benzamide Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C19H22ClN3O5S/c20-17-7-6-15(29(26,27)23-8-2-1-3-9-23)11-16(17)19(25)22-13-18(24)21-12-14-5-4-10-28-14/h4-7,10-11H,1-3,8-9,12-13H2,(H,21,24)(H,22,25)