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

Systemtic Name: (4-bromophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-bromophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (4-bromobenzyl) ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrNO4S/c21-18-9-5-16(6-10-18)15-26-20(23)17-7-11-19(12-8-17)27(24,25)22-13-3-1-2-4-14-22/h5-12H,1-4,13-15H2