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

Systemtic Name: (4-bromophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (4-bromophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (4-bromobenzyl) ester Formula: C20H21BrClNO4S MolecularWeight: 486.80704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrClNO4S/c21-17-8-5-15(6-9-17)14-27-20(24)16-7-10-18(22)19(13-16)28(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12,14H2