N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide Openeye Name: N-[2-[4-(m-tolyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide CAS Name: N-[2-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide Traditional Name: N-[2-[4-(m-tolyl)piperazino]sulfonylethyl]adamantane-1-carboxamide Formula: C24H35N3O3S MolecularWeight: 445.618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H35N3O3S/c1-18-3-2-4-22(11-18)26-6-8-27(9-7-26)31(29,30)10-5-25-23(28)24-15-19-12-20(16-24)14-21(13-19)17-24/h2-4,11,19-21H,5-10,12-17H2,1H3,(H,25,28)