methyl 1-[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-[1-azepanyl(oxo)methyl]-4-methoxyphenyl]sulfonyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(azepane-1-carbonyl)-4-methoxyphenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylisonipecotic acid methyl ester Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H30N2O6S/c1-28-19-8-7-17(15-18(19)20(24)22-11-5-3-4-6-12-22)30(26,27)23-13-9-16(10-14-23)21(25)29-2/h7-8,15-16H,3-6,9-14H2,1-2H3