N-(1-adamantyl)-2-chloranyl-5-[2-(3-oxidanylpropylsulfonyl)ethoxy]benzamide

Systemtic Name: N-(1-adamantyl)-2-chloranyl-5-[2-(3-oxidanylpropylsulfonyl)ethoxy]benzamide Openeye Name: N-(1-adamantyl)-2-chloro-5-[2-(3-hydroxypropylsulfonyl)ethoxy]benzamide CAS Name: N-(1-adamantyl)-2-chloro-5-[2-(3-hydroxypropylsulfonyl)ethoxy]benzamide IUPAC Name: N-(1-adamantyl)-2-chloro-5-[2-(3-hydroxypropylsulfonyl)ethoxy]benzamide Traditional Name: N-(1-adamantyl)-2-chloro-5-[2-(3-hydroxypropylsulfonyl)ethoxy]benzamide Formula: C22H30ClNO5S MolecularWeight: 455.9953

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C(C=CC(=C4)OCCS(=O)(=O)CCCO)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C(C=CC(=C4)OCCS(=O)(=O)CCCO)Cl

InChI

InChI=1S/C22H30ClNO5S/c23-20-3-2-18(29-5-7-30(27,28)6-1-4-25)11-19(20)21(26)24-22-12-15-8-16(13-22)10-17(9-15)14-22/h2-3,11,15-17,25H,1,4-10,12-14H2,(H,24,26)