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

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (4-oxo-4-phenyl-butyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (4-keto-4-phenyl-butyl) ester Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCCCC(=O)C2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCCCC(=O)C2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H29NO6S/c1-30-22-14-13-20(18-23(22)32(28,29)25-15-7-2-3-8-16-25)24(27)31-17-9-12-21(26)19-10-5-4-6-11-19/h4-6,10-11,13-14,18H,2-3,7-9,12,15-17H2,1H3