phenacyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: phenacyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: phenacyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid phenacyl ester IUPAC Name: phenacyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid phenacyl ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6S/c1-28-20-12-11-18(22(25)29-16-19(24)17-9-5-4-6-10-17)15-21(20)30(26,27)23-13-7-2-3-8-14-23/h4-6,9-12,15H,2-3,7-8,13-14,16H2,1H3