2-methoxyethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: 2-methoxyethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: 2-methoxyethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid 2-methoxyethyl ester Formula: C17H25NO6S MolecularWeight: 371.4485

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COCCOC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C17H25NO6S/c1-22-11-12-24-17(19)14-7-8-15(23-2)16(13-14)25(20,21)18-9-5-3-4-6-10-18/h7-8,13H,3-6,9-12H2,1-2H3