methyl 2-[4-[(1-phenylcyclohexyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(1-phenylcyclohexyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(1-phenylcyclohexyl)methylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-[(1-phenylcyclohexyl)methylamino]methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(1-phenylcyclohexyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(1-phenylcyclohexyl)methylcarbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3(CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3(CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H34N2O5S/c1-34-26(31)23-12-6-7-13-24(23)35(32,33)29-18-14-21(15-19-29)25(30)28-20-27(16-8-3-9-17-27)22-10-4-2-5-11-22/h2,4-7,10-13,21H,3,8-9,14-20H2,1H3,(H,28,30)