6-[4-(1-adamantylcarbonyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: 6-[4-(1-adamantylcarbonyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one Openeye Name: 6-[4-(adamantane-1-carbonyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one CAS Name: 6-[[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 6-[4-(adamantane-1-carbonyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one Traditional Name: 6-[4-(adamantane-1-carbonyl)piperazino]sulfonyl-3,4-dihydrocarbostyril Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H31N3O4S/c28-22-4-1-19-12-20(2-3-21(19)25-22)32(30,31)27-7-5-26(6-8-27)23(29)24-13-16-9-17(14-24)11-18(10-16)15-24/h2-3,12,16-18H,1,4-11,13-15H2,(H,25,28)