N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-2-chloranyl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-2-chloranyl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-2-chloro-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-2-chloro-5-piperidinosulfonyl-benzamide Formula: C18H26ClN3O4S MolecularWeight: 415.93474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

InChI

InChI=1S/C18H26ClN3O4S/c1-18(2,3)21-16(23)12-20-17(24)14-11-13(7-8-15(14)19)27(25,26)22-9-5-4-6-10-22/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,20,24)(H,21,23)