12-(1-adamantylcarbamoylamino)-N-(phenylsulfonyl)dodecanamide

Systemtic Name: 12-(1-adamantylcarbamoylamino)-N-(phenylsulfonyl)dodecanamide Openeye Name: 12-(1-adamantylcarbamoylamino)-N-(benzenesulfonyl)dodecanamide CAS Name: 12-[[(1-adamantylamino)-oxomethyl]amino]-N-(benzenesulfonyl)dodecanamide IUPAC Name: 12-(1-adamantylcarbamoylamino)-N-(benzenesulfonyl)dodecanamide Traditional Name: 12-(1-adamantylcarbamoylamino)-N-besyl-lauramide Formula: C29H45N3O4S MolecularWeight: 531.7503

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCCCCCCCC(=O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCCCCCCCC(=O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H45N3O4S/c33-27(32-37(35,36)26-13-9-8-10-14-26)15-11-6-4-2-1-3-5-7-12-16-30-28(34)31-29-20-23-17-24(21-29)19-25(18-23)22-29/h8-10,13-14,23-25H,1-7,11-12,15-22H2,(H,32,33)(H2,30,31,34)