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

Systemtic Name: (phenylmethyl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: benzyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid benzyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H25NO5S/c1-26-20-12-11-18(28(24,25)22-13-7-2-3-8-14-22)15-19(20)21(23)27-16-17-9-5-4-6-10-17/h4-6,9-12,15H,2-3,7-8,13-14,16H2,1H3