[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C27H33NO5S MolecularWeight: 483.61962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C27H33NO5S/c29-26(23-12-10-22(11-13-23)21-8-4-3-5-9-21)20-33-27(30)24-14-16-25(17-15-24)34(31,32)28-18-6-1-2-7-19-28/h10-17,21H,1-9,18-20H2