N-(1-adamantylmethyl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide

Systemtic Name: N-(1-adamantylmethyl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide Openeye Name: N-(1-adamantylmethyl)-4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-butanamide CAS Name: N-(1-adamantylmethyl)-4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxobutanamide IUPAC Name: N-(1-adamantylmethyl)-4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutanamide Traditional Name: N-(1-adamantylmethyl)-4-(4-besylpiperazino)-4-keto-butyramide Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)NCC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)NCC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H35N3O4S/c29-23(26-18-25-15-19-12-20(16-25)14-21(13-19)17-25)6-7-24(30)27-8-10-28(11-9-27)33(31,32)22-4-2-1-3-5-22/h1-5,19-21H,6-18H2,(H,26,29)