2-(1-adamantyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[4-(m-tolyl)piperazin-1-yl]sulfonylethyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]ethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-[4-(m-tolyl)piperazino]sulfonylethyl]acetamide Formula: C25H37N3O3S MolecularWeight: 459.64458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H37N3O3S/c1-19-3-2-4-23(11-19)27-6-8-28(9-7-27)32(30,31)10-5-26-24(29)18-25-15-20-12-21(16-25)14-22(13-20)17-25/h2-4,11,20-22H,5-10,12-18H2,1H3,(H,26,29)