N-(1-adamantyl)-2-[(3-chlorophenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(1-adamantyl)-2-[(3-chlorophenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(1-adamantyl)-2-(3-chloro-N-methylsulfonyl-anilino)butanamide CAS Name: N-(1-adamantyl)-2-(3-chloro-N-methylsulfonylanilino)butanamide IUPAC Name: N-(1-adamantyl)-2-(3-chloro-N-methylsulfonylanilino)butanamide Traditional Name: N-(1-adamantyl)-2-(3-chloro-N-mesyl-anilino)butyramide Formula: C21H29ClN2O3S MolecularWeight: 424.98456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC12CC3CC(C1)CC(C3)C2)N(C4=CC(=CC=C4)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC12CC3CC(C1)CC(C3)C2)N(C4=CC(=CC=C4)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H29ClN2O3S/c1-3-19(24(28(2,26)27)18-6-4-5-17(22)10-18)20(25)23-21-11-14-7-15(12-21)9-16(8-14)13-21/h4-6,10,14-16,19H,3,7-9,11-13H2,1-2H3,(H,23,25)