N-(1-adamantyl)-4-[(3-chlorophenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(1-adamantyl)-4-[(3-chlorophenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(1-adamantyl)-4-(3-chloro-N-methylsulfonyl-anilino)butanamide CAS Name: N-(1-adamantyl)-4-(3-chloro-N-methylsulfonylanilino)butanamide IUPAC Name: N-(1-adamantyl)-4-(3-chloro-N-methylsulfonylanilino)butanamide Traditional Name: N-(1-adamantyl)-4-(3-chloro-N-mesyl-anilino)butyramide Formula: C21H29ClN2O3S MolecularWeight: 424.98456

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NC12CC3CC(C1)CC(C3)C2)C4=CC(=CC=C4)Cl

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NC12CC3CC(C1)CC(C3)C2)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H29ClN2O3S/c1-28(26,27)24(19-5-2-4-18(22)11-19)7-3-6-20(25)23-21-12-15-8-16(13-21)10-17(9-15)14-21/h2,4-5,11,15-17H,3,6-10,12-14H2,1H3,(H,23,25)