phenyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: phenyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: phenyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid phenyl ester IUPAC Name: phenyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid phenyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H23NO5S/c1-25-19-12-11-17(27(23,24)21-13-7-2-3-8-14-21)15-18(19)20(22)26-16-9-5-4-6-10-16/h4-6,9-12,15H,2-3,7-8,13-14H2,1H3