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

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-oxo-2-(4-phenylphenyl)ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-(4-phenylphenyl)ethyl] ester Formula: C27H27NO5S MolecularWeight: 477.57198

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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)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27NO5S/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/h3-5,8-17H,1-2,6-7,18-20H2