(4-bromophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: (4-bromophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (4-bromophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (4-bromobenzyl) ester Formula: C21H24BrNO5S MolecularWeight: 482.38796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)Br)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)Br)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H24BrNO5S/c1-27-19-11-8-17(21(24)28-15-16-6-9-18(22)10-7-16)14-20(19)29(25,26)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13,15H2,1H3