(4-oxidanylidene-4-phenyl-butyl) 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-oxo-4-phenyl-butyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (4-keto-4-phenyl-butyl) ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H27NO5S/c25-22(19-10-4-3-5-11-19)14-9-17-29-23(26)20-12-8-13-21(18-20)30(27,28)24-15-6-1-2-7-16-24/h3-5,8,10-13,18H,1-2,6-7,9,14-17H2