(4-methoxycarbonylphenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (4-methoxycarbonylphenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (4-carbomethoxybenzyl) ester Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO7S/c1-29-21-12-11-19(32(27,28)24-13-5-3-4-6-14-24)15-20(21)23(26)31-16-17-7-9-18(10-8-17)22(25)30-2/h7-12,15H,3-6,13-14,16H2,1-2H3