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

Systemtic Name: (3-bromophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (3-bromophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (3-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(=CC=C2)Br)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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