ethyl 4-[4-[[4-(1-adamantyl)phenyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[[4-(1-adamantyl)phenyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[[4-(1-adamantyl)phenyl]carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[[4-(1-adamantyl)anilino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[[4-(1-adamantyl)phenyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[[4-(1-adamantyl)phenyl]carbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C31H38N2O5S MolecularWeight: 550.70882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H38N2O5S/c1-2-38-30(35)25-3-9-28(10-4-25)39(36,37)33-13-11-24(12-14-33)29(34)32-27-7-5-26(6-8-27)31-18-21-15-22(19-31)17-23(16-21)20-31/h3-10,21-24H,2,11-20H2,1H3,(H,32,34)