2-phenoxyethyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: 2-phenoxyethyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: 2-phenoxyethyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid 2-phenoxyethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C21H25NO5S/c23-21(27-16-15-26-19-10-4-3-5-11-19)18-9-8-12-20(17-18)28(24,25)22-13-6-1-2-7-14-22/h3-5,8-12,17H,1-2,6-7,13-16H2