dibenzofuran-2-yl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: dibenzofuran-2-yl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: dibenzofuran-2-yl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid 2-dibenzofuranyl ester IUPAC Name: dibenzofuran-2-yl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid dibenzofuran-2-yl ester Formula: C25H22ClNO5S MolecularWeight: 483.96388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=C(C=C3)OC5=CC=CC=C54)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=C(C=C3)OC5=CC=CC=C54)Cl

InChI

InChI=1S/C25H22ClNO5S/c26-21-11-9-17(15-24(21)33(29,30)27-13-5-1-2-6-14-27)25(28)31-18-10-12-23-20(16-18)19-7-3-4-8-22(19)32-23/h3-4,7-12,15-16H,1-2,5-6,13-14H2