N-(1-adamantyl)-4-methylsulfonyl-2-(phenylsulfonylamino)butanamide

Systemtic Name: N-(1-adamantyl)-4-methylsulfonyl-2-(phenylsulfonylamino)butanamide Openeye Name: N-(1-adamantyl)-2-(benzenesulfonamido)-4-methylsulfonyl-butanamide CAS Name: N-(1-adamantyl)-2-(benzenesulfonamido)-4-methylsulfonylbutanamide IUPAC Name: N-(1-adamantyl)-2-(benzenesulfonamido)-4-methylsulfonylbutanamide Traditional Name: N-(1-adamantyl)-2-(benzenesulfonamido)-4-mesyl-butyramide Formula: C21H30N2O5S2 MolecularWeight: 454.6033

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)NC12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H30N2O5S2/c1-29(25,26)8-7-19(23-30(27,28)18-5-3-2-4-6-18)20(24)22-21-12-15-9-16(13-21)11-17(10-15)14-21/h2-6,15-17,19,23H,7-14H2,1H3,(H,22,24)