methyl 3-[4-(1-adamantylcarbamoylamino)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-(1-adamantylcarbamoylamino)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[[4-(1-adamantylcarbamoylamino)-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[4-[[(1-adamantylamino)-oxomethyl]amino]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(1-adamantylcarbamoylamino)piperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(1-adamantylcarbamoylamino)piperidino]sulfonylbenzoic acid methyl ester Formula: C24H33N3O5S MolecularWeight: 475.60092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H33N3O5S/c1-32-22(28)19-3-2-4-21(12-19)33(30,31)27-7-5-20(6-8-27)25-23(29)26-24-13-16-9-17(14-24)11-18(10-16)15-24/h2-4,12,16-18,20H,5-11,13-15H2,1H3,(H2,25,26,29)