(2-oxidanylidene-1,2-diphenyl-ethyl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid desyl 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)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO5S/c29-25(21-11-5-3-6-12-21)26(22-13-7-4-8-14-22)33-27(30)23-15-17-24(18-16-23)34(31,32)28-19-9-1-2-10-20-28/h3-8,11-18,26H,1-2,9-10,19-20H2