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

Systemtic Name: (3-phenoxyphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (3-phenoxyphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (3-phenoxybenzyl) ester Formula: C26H26ClNO5S MolecularWeight: 500.00634

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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=C3)OC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C26H26ClNO5S/c27-24-14-13-21(18-25(24)34(30,31)28-15-6-1-2-7-16-28)26(29)32-19-20-9-8-12-23(17-20)33-22-10-4-3-5-11-22/h3-5,8-14,17-18H,1-2,6-7,15-16,19H2