methyl 2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(azepane-1-carbonyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(azepane-1-carbonyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(azepane-1-carbonyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H28N2O5S/c1-27-20(24)17-8-4-5-9-18(17)28(25,26)22-14-10-16(11-15-22)19(23)21-12-6-2-3-7-13-21/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3