(2-fluorophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (2-fluorophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (2-fluorophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (2-fluorophenyl)methyl ester IUPAC Name: (2-fluorophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (2-fluorobenzyl) ester Formula: C20H21ClFNO4S MolecularWeight: 425.901443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3F)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3F)Cl

InChI

InChI=1S/C20H21ClFNO4S/c21-17-10-9-15(20(24)27-14-16-7-3-4-8-18(16)22)13-19(17)28(25,26)23-11-5-1-2-6-12-23/h3-4,7-10,13H,1-2,5-6,11-12,14H2